28-[chloro(dimethyl)silyl]octacosan-1-ol

C30H63ClOSi — CID 87685229

IUPAC28-[chloro(dimethyl)silyl]octacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C30H63ClOSi/c1-33(2,31)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32/h32H,3-30H2,1-2H3
InChIKeyOCABVSSBAKBUKZ-UHFFFAOYSA-N
MW503.37 g/mol
LogP11.57
Rot. Bonds28

About 28-[chloro(dimethyl)silyl]octacosan-1-ol

28-[chloro(dimethyl)silyl]octacosan-1-ol (PubChem CID 87685229) has the molecular formula C30H63ClOSi and a molecular weight of 503.37 g/mol. Its IUPAC name is 28-[chloro(dimethyl)silyl]octacosan-1-ol.

Molecular Properties

Compound Name28-[chloro(dimethyl)silyl]octacosan-1-ol
PubChem CID87685229
Molecular FormulaC30H63ClOSi
Molecular Weight503.37 g/mol
Exact Mass502.43
IUPAC Name28-[chloro(dimethyl)silyl]octacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C30H63ClOSi/c1-33(2,31)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32/h32H,3-30H2,1-2H3
InChIKeyOCABVSSBAKBUKZ-UHFFFAOYSA-N
XLogP11.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.37
LogP ≤ 511.57
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

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
36-[chloro(dimethyl)silyl]hexatriacontan-1-ol
CID 87684229
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 28-[chloro(dimethyl)silyl]octacosan-1-ol?
The IUPAC name of 28-[chloro(dimethyl)silyl]octacosan-1-ol (CID 87685229) is 28-[chloro(dimethyl)silyl]octacosan-1-ol.
What is the SMILES notation for 28-[chloro(dimethyl)silyl]octacosan-1-ol?
The canonical SMILES for 28-[chloro(dimethyl)silyl]octacosan-1-ol is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 28-[chloro(dimethyl)silyl]octacosan-1-ol?
The InChIKey is OCABVSSBAKBUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63ClOSi/c1-33(2,31)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32/h32H,3-30H2,1-2H3.
What are the key properties of 28-[chloro(dimethyl)silyl]octacosan-1-ol?
28-[chloro(dimethyl)silyl]octacosan-1-ol has a molecular weight of 503.37 g/mol, XLogP of 11.57, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 28-[chloro(dimethyl)silyl]octacosan-1-ol is sourced from PubChem (CID 87685229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).