(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane

C16H25P — CID 16695575

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC1CCC(C(C)C)C(Pc2ccccc2)C1
InChIInChI=1S/C16H25P/c1-12(2)15-10-9-13(3)11-16(15)17-14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyWOCANVLUXHJDRV-UHFFFAOYSA-N
MW248.35 g/mol
LogP4.45
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane

(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (PubChem CID 16695575) has the molecular formula C16H25P and a molecular weight of 248.35 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
PubChem CID16695575
Molecular FormulaC16H25P
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC1CCC(C(C)C)C(Pc2ccccc2)C1
InChIInChI=1S/C16H25P/c1-12(2)15-10-9-13(3)11-16(15)17-14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyWOCANVLUXHJDRV-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 54.45
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

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
CID 10096491
CID 10096491
CID 10277160
CID 10277160
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
CID 12847229
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzenesulfonate
CID 11033794
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (CID 16695575) is (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is CC1CCC(C(C)C)C(Pc2ccccc2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The InChIKey is WOCANVLUXHJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25P/c1-12(2)15-10-9-13(3)11-16(15)17-14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane has a molecular weight of 248.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is sourced from PubChem (CID 16695575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).