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184687 89 6 | Cheminformatics

Chemical : (2,5-Dimethylphenyl)(dimethyl)octylsilane

Casrn : 184687-89-6

MolName : (2,5-Dimethylphenyl)(dimethyl)octylsilane

MolecularFormula : C18H32Si

Smiles : CCCCCCCC[Si](C)(C)c1c(C)ccc(C)c1

InChI : InChI=1S/C18H32Si/c1-6-7-8-9-10-11-14-19(4,5)18-15-16(2)12-13-17(18)3/h12-13,15H,6-11,14H2,1-5H3

InChIK : UDFPKQLZZWLFLZ-UHFFFAOYSA-N

CanonicalSyTyLFy : c0e5c34d68f41dcc

TotalMolweight : 276.538

Molweight : 276.538

MonoisotopicMass : 276.227327

CLogP : 7.1389

CLogS : -6.604

TotalSurfaceArea : 244.38

Druglikeness : -84.378

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.68421

Molecula Flexibility : 0.59698

Molecular Complexity : 0.63634

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 1

Rotatable Bond : 8

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 12

Symmetricatoms : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-09-4nonenonenoneC8H8O3152.149-1.597
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-78-8highlownoneC11H24N2184.326-10.254
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000284-53-6nonenonehighC18H36O2284.482-15.583
100-86-7nonenonenoneC10H14O150.22-2.4187
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-06-1nonenonenoneC9H10O2150.176-1.6836
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100007-67-8highnonelowC5H7OClF2156.559-12.702
100-18-5nonenonenoneC12H18162.275-2.5088
100012-67-7highhighhighC12H12O5236.222-19.846
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-44-7highhighnoneC7H7Cl126.586-2.365
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100-70-9nonenonenoneC6H4N2104.112-6.0498
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000-84-6nonenonehighC4H9NO87.1215-6.3779
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-63-0highhighnoneC6H8N2108.144-4.3224
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574