dicyclohexyl-(2,4-dimethylphenyl)phosphane

C20H31P — CID 118892714

IUPACdicyclohexyl-(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(P(C2CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C20H31P/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12H2,1-2H3
InChIKeyPYBBAHBUINWXHW-UHFFFAOYSA-N
MW302.44 g/mol
LogP6.08
Rot. Bonds3

About dicyclohexyl-(2,4-dimethylphenyl)phosphane

dicyclohexyl-(2,4-dimethylphenyl)phosphane (PubChem CID 118892714) has the molecular formula C20H31P and a molecular weight of 302.44 g/mol. Its IUPAC name is dicyclohexyl-(2,4-dimethylphenyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2,4-dimethylphenyl)phosphane
PubChem CID118892714
Molecular FormulaC20H31P
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Namedicyclohexyl-(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(P(C2CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C20H31P/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12H2,1-2H3
InChIKeyPYBBAHBUINWXHW-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 56.08
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

dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
CID 58500391
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]phosphane
CID 22439942
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
CID 23179241
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
palladium(2+);bis(tris(2,4-dimethylphenyl)phosphane)
CID 19087177
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine
CID 90836051
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
CID 58152982
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
CID 90110127
dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 166514604
2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene
CID 154060566

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(2,4-dimethylphenyl)phosphane?
The IUPAC name of dicyclohexyl-(2,4-dimethylphenyl)phosphane (CID 118892714) is dicyclohexyl-(2,4-dimethylphenyl)phosphane.
What is the SMILES notation for dicyclohexyl-(2,4-dimethylphenyl)phosphane?
The canonical SMILES for dicyclohexyl-(2,4-dimethylphenyl)phosphane is Cc1ccc(P(C2CCCCC2)C2CCCCC2)c(C)c1.
What is the InChIKey of dicyclohexyl-(2,4-dimethylphenyl)phosphane?
The InChIKey is PYBBAHBUINWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31P/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12H2,1-2H3.
What are the key properties of dicyclohexyl-(2,4-dimethylphenyl)phosphane?
dicyclohexyl-(2,4-dimethylphenyl)phosphane has a molecular weight of 302.44 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(2,4-dimethylphenyl)phosphane is sourced from PubChem (CID 118892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).