5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene

C19H31OP — CID 129044340

IUPAC5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
SMILESO=P(C1=CCCCC1)(C1CCC=CCC1)C1CCCCC1
InChIInChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h1-2,13,17,19H,3-12,14-16H2
InChIKeyHLKDPFSRHDVPKS-UHFFFAOYSA-N
MW306.43 g/mol
LogP6.64
Rot. Bonds3

About 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene

5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene (PubChem CID 129044340) has the molecular formula C19H31OP and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene.

Molecular Properties

Compound Name5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
PubChem CID129044340
Molecular FormulaC19H31OP
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
SMILESO=P(C1=CCCCC1)(C1CCC=CCC1)C1CCCCC1
InChIInChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h1-2,13,17,19H,3-12,14-16H2
InChIKeyHLKDPFSRHDVPKS-UHFFFAOYSA-N
XLogP6.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The IUPAC name of 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene (CID 129044340) is 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene.
What is the SMILES notation for 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The canonical SMILES for 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene is O=P(C1=CCCCC1)(C1CCC=CCC1)C1CCCCC1.
What is the InChIKey of 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The InChIKey is HLKDPFSRHDVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h1-2,13,17,19H,3-12,14-16H2.
What are the key properties of 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene has a molecular weight of 306.43 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene is sourced from PubChem (CID 129044340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).