3-cyclohexylbutyl(diphenyl)phosphane

C22H29P — CID 53471136

IUPAC3-cyclohexylbutyl(diphenyl)phosphane
SMILESCC(CCP(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H29P/c1-19(20-11-5-2-6-12-20)17-18-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-16,19-20H,2,5-6,11-12,17-18H2,1H3
InChIKeyBVCXHWLLGBMUMP-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.73
Rot. Bonds6

About 3-cyclohexylbutyl(diphenyl)phosphane

3-cyclohexylbutyl(diphenyl)phosphane (PubChem CID 53471136) has the molecular formula C22H29P and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-cyclohexylbutyl(diphenyl)phosphane.

Molecular Properties

Compound Name3-cyclohexylbutyl(diphenyl)phosphane
PubChem CID53471136
Molecular FormulaC22H29P
Molecular Weight324.45 g/mol
Exact Mass324.20
IUPAC Name3-cyclohexylbutyl(diphenyl)phosphane
SMILESCC(CCP(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H29P/c1-19(20-11-5-2-6-12-20)17-18-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-16,19-20H,2,5-6,11-12,17-18H2,1H3
InChIKeyBVCXHWLLGBMUMP-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.73
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

[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
2-cyclohexylpropylbenzene
CID 15846297
4-cyclohexylpentan-2-yl(triphenyl)phosphanium
CID 89269199
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
benzene;propan-2-ylcyclohexane
CID 163364158
ethane;pentan-2-ylcyclohexane
CID 143225886
butane;pentan-2-ylcyclohexane
CID 143682251
CID 13086823
CID 13086823

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylbutyl(diphenyl)phosphane?
The IUPAC name of 3-cyclohexylbutyl(diphenyl)phosphane (CID 53471136) is 3-cyclohexylbutyl(diphenyl)phosphane.
What is the SMILES notation for 3-cyclohexylbutyl(diphenyl)phosphane?
The canonical SMILES for 3-cyclohexylbutyl(diphenyl)phosphane is CC(CCP(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexylbutyl(diphenyl)phosphane?
The InChIKey is BVCXHWLLGBMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29P/c1-19(20-11-5-2-6-12-20)17-18-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-16,19-20H,2,5-6,11-12,17-18H2,1H3.
What are the key properties of 3-cyclohexylbutyl(diphenyl)phosphane?
3-cyclohexylbutyl(diphenyl)phosphane has a molecular weight of 324.45 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylbutyl(diphenyl)phosphane is sourced from PubChem (CID 53471136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).