(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium

C16H24OP+ — CID 12847229

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
SMILESCC1CCC(C(C)C)C([P+](=O)c2ccccc2)C1
InChIInChI=1S/C16H24OP/c1-12(2)15-10-9-13(3)11-16(15)18(17)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/q+1
InChIKeyNSRHGNNJYULHSY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.60
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium

(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium (PubChem CID 12847229) has the molecular formula C16H24OP+ and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
PubChem CID12847229
Molecular FormulaC16H24OP+
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
SMILESCC1CCC(C(C)C)C([P+](=O)c2ccccc2)C1
InChIInChI=1S/C16H24OP/c1-12(2)15-10-9-13(3)11-16(15)18(17)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/q+1
InChIKeyNSRHGNNJYULHSY-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10096491
CID 10096491
CID 10277160
CID 10277160
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium (CID 12847229) is (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium is CC1CCC(C(C)C)C([P+](=O)c2ccccc2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium?
The InChIKey is NSRHGNNJYULHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OP/c1-12(2)15-10-9-13(3)11-16(15)18(17)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/q+1.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium?
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium has a molecular weight of 263.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium is sourced from PubChem (CID 12847229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).