[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane

C31H46Si — CID 10742048

IUPAC[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(C23CC(C4CCCCC4)(C2)C3)cc(C23CC(C4CCCCC4)(C2)C3)c1
InChIInChI=1S/C31H46Si/c1-32(2,3)27-15-25(30-17-28(18-30,19-30)23-10-6-4-7-11-23)14-26(16-27)31-20-29(21-31,22-31)24-12-8-5-9-13-24/h14-16,23-24H,4-13,17-22H2,1-3H3
InChIKeyGWIPCOPJTXEYJJ-UHFFFAOYSA-N
MW446.80 g/mol
LogP8.24
Rot. Bonds5

About [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane

[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane (PubChem CID 10742048) has the molecular formula C31H46Si and a molecular weight of 446.80 g/mol. Its IUPAC name is [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane
PubChem CID10742048
Molecular FormulaC31H46Si
Molecular Weight446.80 g/mol
Exact Mass446.34
IUPAC Name[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(C23CC(C4CCCCC4)(C2)C3)cc(C23CC(C4CCCCC4)(C2)C3)c1
InChIInChI=1S/C31H46Si/c1-32(2,3)27-15-25(30-17-28(18-30,19-30)23-10-6-4-7-11-23)14-26(16-27)31-20-29(21-31,22-31)24-12-8-5-9-13-24/h14-16,23-24H,4-13,17-22H2,1-3H3
InChIKeyGWIPCOPJTXEYJJ-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.80
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(m-Terphenyl-5'-yl)trimethylsilane
CID 625570
(2,4,6-Tri-tert-butylphenyl)(difluoro)methylsilane
CID 13449381
(3,5-Di-tert-butylphenyl)trimethylsilane
CID 85713932
Fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane
CID 102215052
1,1-Bis(triisopropylphenyl)-3-tert-butyl-3-phenyl-1-sila-allene
CID 10864890
3,5-Di-t-butylphenyldimethyl-silane
CID 129657687
Ethyldifluoro(2,4,6-tri-tert-butylphenyl)silane
CID 13615409
Difluoroisopropyl(2,4,6-tri-tert-butylphenyl)silane
CID 13615410
Difluoromesityl(2,4,6-tri-tert-butylphenyl)silane
CID 13615411
(3,5-Ditert-butylphenyl)-fluoro-dimethylsilane
CID 68532658
CID 70134768
CID 70134768
CID 70136564
CID 70136564

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane?
The IUPAC name of [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane (CID 10742048) is [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane.
What is the SMILES notation for [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane?
The canonical SMILES for [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane is C[Si](C)(C)c1cc(C23CC(C4CCCCC4)(C2)C3)cc(C23CC(C4CCCCC4)(C2)C3)c1.
What is the InChIKey of [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane?
The InChIKey is GWIPCOPJTXEYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46Si/c1-32(2,3)27-15-25(30-17-28(18-30,19-30)23-10-6-4-7-11-23)14-26(16-27)31-20-29(21-31,22-31)24-12-8-5-9-13-24/h14-16,23-24H,4-13,17-22H2,1-3H3.
What are the key properties of [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane?
[3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane has a molecular weight of 446.80 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)phenyl]-trimethylsilane is sourced from PubChem (CID 10742048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).