38-trichlorosilyloctatriacontan-1-ol

C38H77Cl3OSi — CID 87686206

IUPAC38-trichlorosilyloctatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C38H77Cl3OSi/c39-43(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42/h42H,1-38H2
InChIKeyZVFCTFQSBSGNHJ-UHFFFAOYSA-N
MW684.48 g/mol
LogP15.68
Rot. Bonds38

About 38-trichlorosilyloctatriacontan-1-ol

38-trichlorosilyloctatriacontan-1-ol (PubChem CID 87686206) has the molecular formula C38H77Cl3OSi and a molecular weight of 684.48 g/mol. Its IUPAC name is 38-trichlorosilyloctatriacontan-1-ol.

Molecular Properties

Compound Name38-trichlorosilyloctatriacontan-1-ol
PubChem CID87686206
Molecular FormulaC38H77Cl3OSi
Molecular Weight684.48 g/mol
Exact Mass682.48
IUPAC Name38-trichlorosilyloctatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C38H77Cl3OSi/c39-43(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42/h42H,1-38H2
InChIKeyZVFCTFQSBSGNHJ-UHFFFAOYSA-N
XLogP15.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.48
LogP ≤ 515.68
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

35-trichlorosilylpentatriacontan-1-ol
CID 87683942
23-trichlorosilyltricosan-1-ol
CID 87680976
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
28-[chloro(dimethyl)silyl]octacosan-1-ol
CID 87685229
22-[chloro(dimethyl)silyl]docosan-1-ol
CID 87686032
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
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 38-trichlorosilyloctatriacontan-1-ol?
The IUPAC name of 38-trichlorosilyloctatriacontan-1-ol (CID 87686206) is 38-trichlorosilyloctatriacontan-1-ol.
What is the SMILES notation for 38-trichlorosilyloctatriacontan-1-ol?
The canonical SMILES for 38-trichlorosilyloctatriacontan-1-ol is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 38-trichlorosilyloctatriacontan-1-ol?
The InChIKey is ZVFCTFQSBSGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77Cl3OSi/c39-43(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42/h42H,1-38H2.
What are the key properties of 38-trichlorosilyloctatriacontan-1-ol?
38-trichlorosilyloctatriacontan-1-ol has a molecular weight of 684.48 g/mol, XLogP of 15.68, 38 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 38-trichlorosilyloctatriacontan-1-ol is sourced from PubChem (CID 87686206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).