23-trichlorosilyltricosan-1-ol

C23H47Cl3OSi — CID 87680976

IUPAC23-trichlorosilyltricosan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C23H47Cl3OSi/c24-28(25,26)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27/h27H,1-23H2
InChIKeyJGUPPMDTLQGQIU-UHFFFAOYSA-N
MW474.07 g/mol
LogP9.83
Rot. Bonds23

About 23-trichlorosilyltricosan-1-ol

23-trichlorosilyltricosan-1-ol (PubChem CID 87680976) has the molecular formula C23H47Cl3OSi and a molecular weight of 474.07 g/mol. Its IUPAC name is 23-trichlorosilyltricosan-1-ol.

Molecular Properties

Compound Name23-trichlorosilyltricosan-1-ol
PubChem CID87680976
Molecular FormulaC23H47Cl3OSi
Molecular Weight474.07 g/mol
Exact Mass472.25
IUPAC Name23-trichlorosilyltricosan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C23H47Cl3OSi/c24-28(25,26)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27/h27H,1-23H2
InChIKeyJGUPPMDTLQGQIU-UHFFFAOYSA-N
XLogP9.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.07
LogP ≤ 59.83
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
38-trichlorosilyloctatriacontan-1-ol
CID 87686206
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
28-[chloro(dimethyl)silyl]octacosan-1-ol
CID 87685229
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
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
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 23-trichlorosilyltricosan-1-ol?
The IUPAC name of 23-trichlorosilyltricosan-1-ol (CID 87680976) is 23-trichlorosilyltricosan-1-ol.
What is the SMILES notation for 23-trichlorosilyltricosan-1-ol?
The canonical SMILES for 23-trichlorosilyltricosan-1-ol is OCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 23-trichlorosilyltricosan-1-ol?
The InChIKey is JGUPPMDTLQGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47Cl3OSi/c24-28(25,26)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27/h27H,1-23H2.
What are the key properties of 23-trichlorosilyltricosan-1-ol?
23-trichlorosilyltricosan-1-ol has a molecular weight of 474.07 g/mol, XLogP of 9.83, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-trichlorosilyltricosan-1-ol is sourced from PubChem (CID 87680976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).