1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane

C19H35P — CID 90009896

IUPAC1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane
SMILESCCCC(=C(C1CCCCC1)C1CCCCC1)P(C)C
InChIInChI=1S/C19H35P/c1-4-11-18(20(2)3)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h16-17H,4-15H2,1-3H3
InChIKeyPLMJFRCDTQSYKH-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.94
Rot. Bonds5

About 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane

1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane (PubChem CID 90009896) has the molecular formula C19H35P and a molecular weight of 294.46 g/mol. Its IUPAC name is 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane.

Molecular Properties

Compound Name1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane
PubChem CID90009896
Molecular FormulaC19H35P
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane
SMILESCCCC(=C(C1CCCCC1)C1CCCCC1)P(C)C
InChIInChI=1S/C19H35P/c1-4-11-18(20(2)3)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h16-17H,4-15H2,1-3H3
InChIKeyPLMJFRCDTQSYKH-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane?
The IUPAC name of 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane (CID 90009896) is 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane.
What is the SMILES notation for 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane?
The canonical SMILES for 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane is CCCC(=C(C1CCCCC1)C1CCCCC1)P(C)C.
What is the InChIKey of 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane?
The InChIKey is PLMJFRCDTQSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35P/c1-4-11-18(20(2)3)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h16-17H,4-15H2,1-3H3.
What are the key properties of 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane?
1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane has a molecular weight of 294.46 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylpent-1-en-2-yl(dimethyl)phosphane is sourced from PubChem (CID 90009896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).