27-[chloro(dimethyl)silyl]heptacosan-1-ol

C29H61ClOSi — CID 87680833

IUPAC27-[chloro(dimethyl)silyl]heptacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C29H61ClOSi/c1-32(2,30)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-31/h31H,3-29H2,1-2H3
InChIKeyKWKXPGAIINKEMG-UHFFFAOYSA-N
MW489.35 g/mol
LogP11.18
Rot. Bonds27

About 27-[chloro(dimethyl)silyl]heptacosan-1-ol

27-[chloro(dimethyl)silyl]heptacosan-1-ol (PubChem CID 87680833) has the molecular formula C29H61ClOSi and a molecular weight of 489.35 g/mol. Its IUPAC name is 27-[chloro(dimethyl)silyl]heptacosan-1-ol.

Molecular Properties

Compound Name27-[chloro(dimethyl)silyl]heptacosan-1-ol
PubChem CID87680833
Molecular FormulaC29H61ClOSi
Molecular Weight489.35 g/mol
Exact Mass488.42
IUPAC Name27-[chloro(dimethyl)silyl]heptacosan-1-ol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C29H61ClOSi/c1-32(2,30)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-31/h31H,3-29H2,1-2H3
InChIKeyKWKXPGAIINKEMG-UHFFFAOYSA-N
XLogP11.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.35
LogP ≤ 511.18
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
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
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-(24-chlorotetracosyl)-dimethylsilane
CID 87683150

Frequently Asked Questions

What is the IUPAC name of 27-[chloro(dimethyl)silyl]heptacosan-1-ol?
The IUPAC name of 27-[chloro(dimethyl)silyl]heptacosan-1-ol (CID 87680833) is 27-[chloro(dimethyl)silyl]heptacosan-1-ol.
What is the SMILES notation for 27-[chloro(dimethyl)silyl]heptacosan-1-ol?
The canonical SMILES for 27-[chloro(dimethyl)silyl]heptacosan-1-ol is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 27-[chloro(dimethyl)silyl]heptacosan-1-ol?
The InChIKey is KWKXPGAIINKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61ClOSi/c1-32(2,30)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-31/h31H,3-29H2,1-2H3.
What are the key properties of 27-[chloro(dimethyl)silyl]heptacosan-1-ol?
27-[chloro(dimethyl)silyl]heptacosan-1-ol has a molecular weight of 489.35 g/mol, XLogP of 11.18, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 27-[chloro(dimethyl)silyl]heptacosan-1-ol is sourced from PubChem (CID 87680833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).