(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane

C24H33P — CID 144514461

IUPAC(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane
SMILESCCC1CC(C)(C)CC(P(c2ccccc2)c2ccccc2)C1CC
InChIInChI=1S/C24H33P/c1-5-19-17-24(3,4)18-23(22(19)6-2)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23H,5-6,17-18H2,1-4H3
InChIKeyQBJBCTGKMZBFPK-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.36
Rot. Bonds5

About (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane

(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane (PubChem CID 144514461) has the molecular formula C24H33P and a molecular weight of 352.50 g/mol. Its IUPAC name is (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane.

Molecular Properties

Compound Name(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane
PubChem CID144514461
Molecular FormulaC24H33P
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane
SMILESCCC1CC(C)(C)CC(P(c2ccccc2)c2ccccc2)C1CC
InChIInChI=1S/C24H33P/c1-5-19-17-24(3,4)18-23(22(19)6-2)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23H,5-6,17-18H2,1-4H3
InChIKeyQBJBCTGKMZBFPK-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.36
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

cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
CID 129170795
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)
CID 158935527
(S)-ethyl-methyl-phenylphosphane
CID 10909914
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-diphenylphosphane
CID 58900670
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184537
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane?
The IUPAC name of (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane (CID 144514461) is (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane.
What is the SMILES notation for (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane?
The canonical SMILES for (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane is CCC1CC(C)(C)CC(P(c2ccccc2)c2ccccc2)C1CC.
What is the InChIKey of (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane?
The InChIKey is QBJBCTGKMZBFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33P/c1-5-19-17-24(3,4)18-23(22(19)6-2)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23H,5-6,17-18H2,1-4H3.
What are the key properties of (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane?
(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane has a molecular weight of 352.50 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane is sourced from PubChem (CID 144514461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).