35-trichlorosilylpentatriacontan-1-ol

C35H71Cl3OSi — CID 87683942

IUPAC35-trichlorosilylpentatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C35H71Cl3OSi/c36-40(37,38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,1-35H2
InChIKeySFICTLFLQSSXTE-UHFFFAOYSA-N
MW642.40 g/mol
LogP14.51
Rot. Bonds35

About 35-trichlorosilylpentatriacontan-1-ol

35-trichlorosilylpentatriacontan-1-ol (PubChem CID 87683942) has the molecular formula C35H71Cl3OSi and a molecular weight of 642.40 g/mol. Its IUPAC name is 35-trichlorosilylpentatriacontan-1-ol.

Molecular Properties

Compound Name35-trichlorosilylpentatriacontan-1-ol
PubChem CID87683942
Molecular FormulaC35H71Cl3OSi
Molecular Weight642.40 g/mol
Exact Mass640.43
IUPAC Name35-trichlorosilylpentatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C35H71Cl3OSi/c36-40(37,38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,1-35H2
InChIKeySFICTLFLQSSXTE-UHFFFAOYSA-N
XLogP14.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.40
LogP ≤ 514.51
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'}

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Related Compounds

23-trichlorosilyltricosan-1-ol
CID 87680976
38-trichlorosilyloctatriacontan-1-ol
CID 87686206
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
22-[chloro(dimethyl)silyl]docosan-1-ol
CID 87686032
28-[chloro(dimethyl)silyl]octacosan-1-ol
CID 87685229
29-[chloro(dimethyl)silyl]nonacosan-1-ol
CID 87682143
32-[chloro(dimethyl)silyl]dotriacontan-1-ol
CID 87684424
6-[dichloro(methyl)silyl]hexan-1-ol
CID 87686443
36-[chloro(dimethyl)silyl]hexatriacontan-1-ol
CID 87684229
27-[chloro(dimethyl)silyl]heptacosan-1-ol
CID 87680833
trichloro(30-chlorotriacontyl)silane
CID 87686341

Frequently Asked Questions

What is the IUPAC name of 35-trichlorosilylpentatriacontan-1-ol?
The IUPAC name of 35-trichlorosilylpentatriacontan-1-ol (CID 87683942) is 35-trichlorosilylpentatriacontan-1-ol.
What is the SMILES notation for 35-trichlorosilylpentatriacontan-1-ol?
The canonical SMILES for 35-trichlorosilylpentatriacontan-1-ol is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 35-trichlorosilylpentatriacontan-1-ol?
The InChIKey is SFICTLFLQSSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71Cl3OSi/c36-40(37,38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,1-35H2.
What are the key properties of 35-trichlorosilylpentatriacontan-1-ol?
35-trichlorosilylpentatriacontan-1-ol has a molecular weight of 642.40 g/mol, XLogP of 14.51, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 35-trichlorosilylpentatriacontan-1-ol is sourced from PubChem (CID 87683942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).