29-[chloro(dimethyl)silyl]nonacosan-1-ol

C31H65ClOSi — CID 87682143

IUPAC29-[chloro(dimethyl)silyl]nonacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C31H65ClOSi/c1-34(2,32)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33/h33H,3-31H2,1-2H3
InChIKeyIGAOSJPBRVBCFD-UHFFFAOYSA-N
MW517.40 g/mol
LogP11.96
Rot. Bonds29

About 29-[chloro(dimethyl)silyl]nonacosan-1-ol

29-[chloro(dimethyl)silyl]nonacosan-1-ol (PubChem CID 87682143) has the molecular formula C31H65ClOSi and a molecular weight of 517.40 g/mol. Its IUPAC name is 29-[chloro(dimethyl)silyl]nonacosan-1-ol.

Molecular Properties

Compound Name29-[chloro(dimethyl)silyl]nonacosan-1-ol
PubChem CID87682143
Molecular FormulaC31H65ClOSi
Molecular Weight517.40 g/mol
Exact Mass516.45
IUPAC Name29-[chloro(dimethyl)silyl]nonacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C31H65ClOSi/c1-34(2,32)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33/h33H,3-31H2,1-2H3
InChIKeyIGAOSJPBRVBCFD-UHFFFAOYSA-N
XLogP11.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.40
LogP ≤ 511.96
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
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 29-[chloro(dimethyl)silyl]nonacosan-1-ol?
The IUPAC name of 29-[chloro(dimethyl)silyl]nonacosan-1-ol (CID 87682143) is 29-[chloro(dimethyl)silyl]nonacosan-1-ol.
What is the SMILES notation for 29-[chloro(dimethyl)silyl]nonacosan-1-ol?
The canonical SMILES for 29-[chloro(dimethyl)silyl]nonacosan-1-ol is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 29-[chloro(dimethyl)silyl]nonacosan-1-ol?
The InChIKey is IGAOSJPBRVBCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65ClOSi/c1-34(2,32)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33/h33H,3-31H2,1-2H3.
What are the key properties of 29-[chloro(dimethyl)silyl]nonacosan-1-ol?
29-[chloro(dimethyl)silyl]nonacosan-1-ol has a molecular weight of 517.40 g/mol, XLogP of 11.96, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 29-[chloro(dimethyl)silyl]nonacosan-1-ol is sourced from PubChem (CID 87682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).