2-tert-Butyl-3,3-dimethylbutanoyl chloride

Formula:C10H19OCl CAS:29571-65-1 ChemrytIQ

PropertyValue
Casrn29571-65-1
MolName2-tert-Butyl-3,3-dimethylbutanoyl chloride
MolecularFormulaC10H19OCl
SmilesCC(C)(C)C(C(C)(C)C)C(Cl)=O
InChIInChI=1S/C10H19ClO/c1-9(2,3)7(8(11)12)10(4,5)6/h7H,1-6H3
InChIKCCRJSHUTRBFHHR-UHFFFAOYSA-N
CanonicalSyTyLFy5cca2330a781bad9
TotalMolweight190.713
Molweight190.713
MonoisotopicMass190.112442
CLogP3.2325
CLogS-2.179
H Acceptors1
TotalSurfaceArea153.55
Relative PSA0.084923
PolarSurfaceArea17.07
Druglikeness-15.809
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsacyl-halogenide type
Shape Index0.41667
Molecula Flexibility0.69641
Molecular Complexity0.47958
Fragments1
Non HAtoms12
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond3
Sp3Atoms9
Symmetricatoms6
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
1000-00-6nonenonehighC10H26OSi2218.487-62.76 ChemrytIQ
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
100-91-4nonenonehighC17H25NO3291.393.3475 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051 ChemrytIQ
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
100-40-3nonenonehighC8H12108.183-9.1684 ChemrytIQ
100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133 ChemrytIQ
100020-34-6nonenonenoneC13H18S2238.418-0.23079 ChemrytIQ
100010-99-9nonenonenoneC11H24O2188.31-23.185 ChemrytIQ
100005-68-3nonenonenoneC13H12O4232.234-4.9451 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
100005-44-5highnonelowC7H5O2ClS188.634-11.771 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
1000-50-6nonenonehighC6H15ClSi150.724-84.768 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989 ChemrytIQ
100-93-6highhighhighC19H18N2O2S338.43-12.848 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
10003-67-5nonenonenoneC33H62O6554.849-22.973 ChemrytIQ
100-34-5nonenonenoneCl.C6H5N2105.12-4.365 ChemrytIQ
1000-43-7highhighhighC8H18Cl2Si213.223-31.848 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
100033-59-8nonenonenoneC8H16N2140.2290.9406 ChemrytIQ
100009-99-2lowhighnoneC21H25NO4355.4332.9337 ChemrytIQ
100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356 ChemrytIQ
100021-46-3nonenonenoneC9H11NO2165.191-3.1955 ChemrytIQ
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
100-56-1highlowlowC6H5ClHg313.149-2.3575 ChemrytIQ
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344 ChemrytIQ
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994 ChemrytIQ
1000-91-5nonenonehighC5H14OSi118.251-35.679 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
1000284-35-4nonenonehighC16H24O4280.363-11.936 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
1000000-13-4highhighhighC21H28O12472.441-0.17986 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-76-5nonenonehighC7H13N111.1873.5517 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100-83-4highnonelowC7H6O2122.123-4.1407 ChemrytIQ
1000-46-0nonenonenoneC7H18Ge174.83-4.6976 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100010-21-7nonenonenoneC14H21NO219.327-4.2999 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
100-62-9lownonenoneC7H7N105.14-1.1924 ChemrytIQ
1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ