38-[dichloro(methyl)silyl]octatriacontane-1-thiol

C39H80Cl2SSi — CID 87684171

IUPAC38-[dichloro(methyl)silyl]octatriacontane-1-thiol
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C39H80Cl2SSi/c1-43(40,41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42H,2-39H2,1H3
InChIKeyGUCSMXACMACCNR-UHFFFAOYSA-N
MW680.13 g/mol
LogP16.51
Rot. Bonds38

About 38-[dichloro(methyl)silyl]octatriacontane-1-thiol

38-[dichloro(methyl)silyl]octatriacontane-1-thiol (PubChem CID 87684171) has the molecular formula C39H80Cl2SSi and a molecular weight of 680.13 g/mol. Its IUPAC name is 38-[dichloro(methyl)silyl]octatriacontane-1-thiol.

Molecular Properties

Compound Name38-[dichloro(methyl)silyl]octatriacontane-1-thiol
PubChem CID87684171
Molecular FormulaC39H80Cl2SSi
Molecular Weight680.13 g/mol
Exact Mass678.51
IUPAC Name38-[dichloro(methyl)silyl]octatriacontane-1-thiol
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C39H80Cl2SSi/c1-43(40,41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42H,2-39H2,1H3
InChIKeyGUCSMXACMACCNR-UHFFFAOYSA-N
XLogP16.51
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.13
LogP ≤ 516.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-[dichloro(methyl)silyl]nonane-1-thiol
CID 87681480
dichloro-[5-[dichloro(methyl)silyl]pentyl]-methylsilane
CID 154317252
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
5-trichlorosilylpentane-1-thiol
CID 140708886
8-trichlorosilyloctane-1-thiol
CID 87461786
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
9-bromononyl-dichloro-methylsilane
CID 87683387
14-bromotetradecyl-dichloro-methylsilane
CID 87684527
33-[dichloro(methyl)silyl]tritriacontan-1-amine
CID 87684387
6-[dichloro(methyl)silyl]hexan-1-ol
CID 87686443
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350

Frequently Asked Questions

What is the IUPAC name of 38-[dichloro(methyl)silyl]octatriacontane-1-thiol?
The IUPAC name of 38-[dichloro(methyl)silyl]octatriacontane-1-thiol (CID 87684171) is 38-[dichloro(methyl)silyl]octatriacontane-1-thiol.
What is the SMILES notation for 38-[dichloro(methyl)silyl]octatriacontane-1-thiol?
The canonical SMILES for 38-[dichloro(methyl)silyl]octatriacontane-1-thiol is C[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 38-[dichloro(methyl)silyl]octatriacontane-1-thiol?
The InChIKey is GUCSMXACMACCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H80Cl2SSi/c1-43(40,41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42H,2-39H2,1H3.
What are the key properties of 38-[dichloro(methyl)silyl]octatriacontane-1-thiol?
38-[dichloro(methyl)silyl]octatriacontane-1-thiol has a molecular weight of 680.13 g/mol, XLogP of 16.51, 38 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 38-[dichloro(methyl)silyl]octatriacontane-1-thiol is sourced from PubChem (CID 87684171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).