[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane

C12H21P — CID 134985320

IUPAC[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
SMILESCC(C)P(C)/C=C/C1=CCCCC1
InChIInChI=1S/C12H21P/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3/b10-9+
InChIKeyMDWQKPIJJRTGPQ-MDZDMXLPSA-N
MW196.27 g/mol
LogP4.52
Rot. Bonds3

About [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane

[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane (PubChem CID 134985320) has the molecular formula C12H21P and a molecular weight of 196.27 g/mol. Its IUPAC name is [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane.

Molecular Properties

Compound Name[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
PubChem CID134985320
Molecular FormulaC12H21P
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
SMILESCC(C)P(C)/C=C/C1=CCCCC1
InChIInChI=1S/C12H21P/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3/b10-9+
InChIKeyMDWQKPIJJRTGPQ-MDZDMXLPSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 54.52
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

1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
5-(cyclohexen-1-yl)-3-methylpent-4-en-1-ol
CID 141189091
2-(cyclohexen-1-yl)-N,N-dimethylethenamine
CID 71333973
1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
CID 15311444
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
CID 70063613
(1E)-cyclononene-1-carbaldehyde
CID 22647283
1-ethenylcyclooctene
CID 54012738
[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 20709372
1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene
CID 134863597
[(Z)-2-(cyclohexen-1-yl)ethenyl]-methyl-diphenylsilane
CID 101364519

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane?
The IUPAC name of [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane (CID 134985320) is [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane.
What is the SMILES notation for [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane?
The canonical SMILES for [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane is CC(C)P(C)/C=C/C1=CCCCC1.
What is the InChIKey of [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane?
The InChIKey is MDWQKPIJJRTGPQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21P/c1-11(2)13(3)10-9-12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3/b10-9+.
What are the key properties of [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane?
[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane has a molecular weight of 196.27 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane is sourced from PubChem (CID 134985320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).