1-Propanol, 2-(octyloxy)-

Formula:C11H24O2 CAS:100010-99-9 ChemrytIQ

PropertyValue
Casrn100010-99-9
MolName1-Propanol, 2-(octyloxy)-
MolecularFormulaC11H24O2
SmilesCCCCCCCCOC(C)CO
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKFWFAVISHBVXODB-NSHDSACASA-N
CanonicalSyTyLFy5d2be4779d436017
TotalMolweight188.31
Molweight188.31
MonoisotopicMass188.17763
CLogP3.0437
CLogS-2.396
H Acceptors2
H Donors1
TotalSurfaceArea176.95
Relative PSA0.13055
PolarSurfaceArea29.46
Druglikeness-23.185
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.92308
Molecula Flexibility0.59207
Molecular Complexity0.34657
Fragments1
Non HAtoms13
NonCHAtoms2
Electronegative Atoms2
StereoCenters1
Rotatable Bond9
Sp3Atoms13
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
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100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
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100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
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1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
100-68-5nonenonenoneC7H8S124.207-1.735 ChemrytIQ
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
100-39-0highhighnoneC7H7Br171.037-7.8241 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
100021-46-3nonenonenoneC9H11NO2165.191-3.1955 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
10001-46-4nonenonenoneC9H11N3O3209.2041.9565 ChemrytIQ
1000198-80-0nonenonenoneC11H14NF179.237-0.04876 ChemrytIQ
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100-67-4nonenonenoneK.C6H5O93.1047-2.2548 ChemrytIQ
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
100010-99-9nonenonenoneC11H24O2188.31-23.185 ChemrytIQ
100-90-3nonenonenoneC14H16N4O3S320.3724.7301 ChemrytIQ
100011-00-5nonenonenoneC15H24O2236.354-18.044 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
1000-40-4highnonelowC10H24S2Sn327.143-7.0269 ChemrytIQ
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
100-27-6lownonenoneC8H9NO3167.163-9.2735 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926 ChemrytIQ
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825 ChemrytIQ
100004-95-3nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000-00-6nonenonehighC10H26OSi2218.487-62.76 ChemrytIQ
100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
1000018-07-4nonenonenoneC14H13N3O239.2771.9531 ChemrytIQ
100-45-8nonenonehighC7H9N107.155-10.018 ChemrytIQ
10003-69-7nonenonenoneC10H14O8S4390.4770.2775 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ