bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane

C23H39P — CID 123322399

IUPACbis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
SMILESC=CC1CCC(P(C2CCC(C)CC2)C2CCC(C=C)CC2)CC1
InChIInChI=1S/C23H39P/c1-4-19-8-14-22(15-9-19)24(21-12-6-18(3)7-13-21)23-16-10-20(5-2)11-17-23/h4-5,18-23H,1-2,6-17H2,3H3
InChIKeyPKWCOJQXOKTRJB-UHFFFAOYSA-N
MW346.54 g/mol
LogP7.54
Rot. Bonds5

About bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane

bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane (PubChem CID 123322399) has the molecular formula C23H39P and a molecular weight of 346.54 g/mol. Its IUPAC name is bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane.

Molecular Properties

Compound Namebis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
PubChem CID123322399
Molecular FormulaC23H39P
Molecular Weight346.54 g/mol
Exact Mass346.28
IUPAC Namebis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
SMILESC=CC1CCC(P(C2CCC(C)CC2)C2CCC(C=C)CC2)CC1
InChIInChI=1S/C23H39P/c1-4-19-8-14-22(15-9-19)24(21-12-6-18(3)7-13-21)23-16-10-20(5-2)11-17-23/h4-5,18-23H,1-2,6-17H2,3H3
InChIKeyPKWCOJQXOKTRJB-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 140571030
1-ethenyl-4-[1-(4-ethenylcyclohexyl)ethyl]cyclohexane
CID 153439228
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
1-[(E)-3,3-dimethylbut-1-enyl]-4-methylcyclohexane
CID 158566713
ethenylcyclononane
CID 123465789
ethenylcyclotetradecane
CID 123915888

Frequently Asked Questions

What is the IUPAC name of bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane?
The IUPAC name of bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane (CID 123322399) is bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane.
What is the SMILES notation for bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane?
The canonical SMILES for bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane is C=CC1CCC(P(C2CCC(C)CC2)C2CCC(C=C)CC2)CC1.
What is the InChIKey of bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane?
The InChIKey is PKWCOJQXOKTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39P/c1-4-19-8-14-22(15-9-19)24(21-12-6-18(3)7-13-21)23-16-10-20(5-2)11-17-23/h4-5,18-23H,1-2,6-17H2,3H3.
What are the key properties of bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane?
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane has a molecular weight of 346.54 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane is sourced from PubChem (CID 123322399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).