[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane

C29H35P — CID 129046215

IUPAC[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane
SMILESCCCCC1CCCC(c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1C
InChIInChI=1S/C29H35P/c1-3-4-14-24-15-13-21-27(23(24)2)28-20-11-12-22-29(28)30(25-16-7-5-8-17-25)26-18-9-6-10-19-26/h5-12,16-20,22-24,27H,3-4,13-15,21H2,1-2H3/t23-,24?,27?/m0/s1
InChIKeyFQGUAHYJWWDUCD-HVNPKJTBSA-N
MW414.57 g/mol
LogP7.15
Rot. Bonds7

About [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane

[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane (PubChem CID 129046215) has the molecular formula C29H35P and a molecular weight of 414.57 g/mol. Its IUPAC name is [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane
PubChem CID129046215
Molecular FormulaC29H35P
Molecular Weight414.57 g/mol
Exact Mass414.25
IUPAC Name[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane
SMILESCCCCC1CCCC(c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1C
InChIInChI=1S/C29H35P/c1-3-4-14-24-15-13-21-27(23(24)2)28-20-11-12-22-29(28)30(25-16-7-5-8-17-25)26-18-9-6-10-19-26/h5-12,16-20,22-24,27H,3-4,13-15,21H2,1-2H3/t23-,24?,27?/m0/s1
InChIKeyFQGUAHYJWWDUCD-HVNPKJTBSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
CID 137471998
(2-butylcyclopentyl)benzene
CID 20616758
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
bis[3,5-bis(trifluoromethyl)phenyl]-[1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
CID 155886280
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane
CID 98462259
[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
CID 90267040
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
(2-pentylphenyl)-diphenylphosphane
CID 22731138
1-butyl-2,3-dimethylcycloheptane
CID 123688488
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
4-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534220

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane (CID 129046215) is [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane is CCCCC1CCCC(c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1C.
What is the InChIKey of [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane?
The InChIKey is FQGUAHYJWWDUCD-HVNPKJTBSA-N. The full InChI is InChI=1S/C29H35P/c1-3-4-14-24-15-13-21-27(23(24)2)28-20-11-12-22-29(28)30(25-16-7-5-8-17-25)26-18-9-6-10-19-26/h5-12,16-20,22-24,27H,3-4,13-15,21H2,1-2H3/t23-,24?,27?/m0/s1.
What are the key properties of [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane?
[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane has a molecular weight of 414.57 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 129046215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).