36-[chloro(dimethyl)silyl]hexatriacontan-1-ol

C38H79ClOSi — CID 87684229

IUPAC36-[chloro(dimethyl)silyl]hexatriacontan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C38H79ClOSi/c1-41(2,39)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40/h40H,3-38H2,1-2H3
InChIKeyHEJJFKMGLOEOFN-UHFFFAOYSA-N
MW615.59 g/mol
LogP14.69
Rot. Bonds36

About 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol

36-[chloro(dimethyl)silyl]hexatriacontan-1-ol (PubChem CID 87684229) has the molecular formula C38H79ClOSi and a molecular weight of 615.59 g/mol. Its IUPAC name is 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol.

Molecular Properties

Compound Name36-[chloro(dimethyl)silyl]hexatriacontan-1-ol
PubChem CID87684229
Molecular FormulaC38H79ClOSi
Molecular Weight615.59 g/mol
Exact Mass614.56
IUPAC Name36-[chloro(dimethyl)silyl]hexatriacontan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C38H79ClOSi/c1-41(2,39)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40/h40H,3-38H2,1-2H3
InChIKeyHEJJFKMGLOEOFN-UHFFFAOYSA-N
XLogP14.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.59
LogP ≤ 514.69
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'}

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Related Compounds

28-[chloro(dimethyl)silyl]octacosan-1-ol
CID 87685229
22-[chloro(dimethyl)silyl]docosan-1-ol
CID 87686032
29-[chloro(dimethyl)silyl]nonacosan-1-ol
CID 87682143
32-[chloro(dimethyl)silyl]dotriacontan-1-ol
CID 87684424
27-[chloro(dimethyl)silyl]heptacosan-1-ol
CID 87680833
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
6-[dichloro(methyl)silyl]hexan-1-ol
CID 87686443
6-trimethylsilylhexan-1-ol
CID 10888428
35-trichlorosilylpentatriacontan-1-ol
CID 87683942
38-trichlorosilyloctatriacontan-1-ol
CID 87686206
23-trichlorosilyltricosan-1-ol
CID 87680976
chloro-dimethyl-nonadecylsilane
CID 87338427

Frequently Asked Questions

What is the IUPAC name of 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol?
The IUPAC name of 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol (CID 87684229) is 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol.
What is the SMILES notation for 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol?
The canonical SMILES for 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol?
The InChIKey is HEJJFKMGLOEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79ClOSi/c1-41(2,39)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40/h40H,3-38H2,1-2H3.
What are the key properties of 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol?
36-[chloro(dimethyl)silyl]hexatriacontan-1-ol has a molecular weight of 615.59 g/mol, XLogP of 14.69, 36 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 36-[chloro(dimethyl)silyl]hexatriacontan-1-ol is sourced from PubChem (CID 87684229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).