[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane

C22H29P — CID 98053481

IUPAC[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29P/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m1/s1
InChIKeyBEYDOEXXFGNVRZ-STZQEDGTSA-N
MW324.45 g/mol
LogP5.58
Rot. Bonds4

About [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane (PubChem CID 98053481) has the molecular formula C22H29P and a molecular weight of 324.45 g/mol. Its IUPAC name is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
PubChem CID98053481
Molecular FormulaC22H29P
Molecular Weight324.45 g/mol
Exact Mass324.20
IUPAC Name[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29P/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m1/s1
InChIKeyBEYDOEXXFGNVRZ-STZQEDGTSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.58
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

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
CID 146028667
CID 146028667
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
CID 562813
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
2-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanylbenzenesulfonic acid
CID 102219109
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
CID 10277160
CID 10277160
CID 10096491
CID 10096491
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
CID 159987676
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane?
The IUPAC name of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane (CID 98053481) is [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane.
What is the SMILES notation for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane?
The canonical SMILES for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane is CC(C)[C@H]1CC[C@@H](C)C[C@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane?
The InChIKey is BEYDOEXXFGNVRZ-STZQEDGTSA-N. The full InChI is InChI=1S/C22H29P/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m1/s1.
What are the key properties of [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane?
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane has a molecular weight of 324.45 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane is sourced from PubChem (CID 98053481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).