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

C17H27P — CID 53438913

IUPACmethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC(C)C1(C)CCCCC1P(C)c1ccccc1
InChIInChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3
InChIKeyXPPZCWNWCSGGDB-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.03
Rot. Bonds3

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

methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (PubChem CID 53438913) has the molecular formula C17H27P and a molecular weight of 262.38 g/mol. Its IUPAC name is methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.

Molecular Properties

Compound Namemethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
PubChem CID53438913
Molecular FormulaC17H27P
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Namemethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC(C)C1(C)CCCCC1P(C)c1ccccc1
InChIInChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3
InChIKeyXPPZCWNWCSGGDB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.03
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

2-(2-methyl-2-propan-2-ylcyclohexyl)pyridine
CID 144924332
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
CID 129170795
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
benzyl-bis(2-methyl-1-propan-2-ylcyclohexyl)phosphane
CID 71440292
(2R,4aR,8aS)-4a-hydroxy-1-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-4-one
CID 11889561
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The IUPAC name of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (CID 53438913) is methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.
What is the SMILES notation for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The canonical SMILES for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is CC(C)C1(C)CCCCC1P(C)c1ccccc1.
What is the InChIKey of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The InChIKey is XPPZCWNWCSGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3.
What are the key properties of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane has a molecular weight of 262.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is sourced from PubChem (CID 53438913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).