2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane

C13H21P — CID 142155508

IUPAC2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane
SMILESCC=CC(C)(P)C1C=C(C)C=C(C)C1
InChIInChI=1S/C13H21P/c1-5-6-13(4,14)12-8-10(2)7-11(3)9-12/h5-8,12H,9,14H2,1-4H3
InChIKeyOMIOMVUPKDXSJB-UHFFFAOYSA-N
MW208.28 g/mol
LogP4.11
Rot. Bonds2

About 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane

2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane (PubChem CID 142155508) has the molecular formula C13H21P and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane
PubChem CID142155508
Molecular FormulaC13H21P
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane
SMILESCC=CC(C)(P)C1C=C(C)C=C(C)C1
InChIInChI=1S/C13H21P/c1-5-6-13(4,14)12-8-10(2)7-11(3)9-12/h5-8,12H,9,14H2,1-4H3
InChIKeyOMIOMVUPKDXSJB-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 54.11
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

3-fluoro-1-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 130370430
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 143620880
1-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 88998982
(E)-4,4-dimethylpent-2-ene
CID 159305896
(3S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 130217119
(2S,3R,3aR,7aS)-3-hydroxy-2-methoxy-2-(3-methoxy-3-methylbut-1-enyl)-3,6-dimethyl-7,7a-dihydro-3aH-1-benzofuran-4-one
CID 162861776
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine
CID 138630825
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835
2-ethenyl-1,4,6-trimethylcyclohexa-1,3-diene
CID 155717423
2-fluoro-1-[(2Z,4Z)-hexa-2,4-dienyl]-4-methyl-6-(2,2,3-trimethylhept-4-en-3-yl)cyclohexa-1,3-diene
CID 134212732

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane?
The IUPAC name of 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane (CID 142155508) is 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane.
What is the SMILES notation for 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane?
The canonical SMILES for 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane is CC=CC(C)(P)C1C=C(C)C=C(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane?
The InChIKey is OMIOMVUPKDXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21P/c1-5-6-13(4,14)12-8-10(2)7-11(3)9-12/h5-8,12H,9,14H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane?
2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane has a molecular weight of 208.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane is sourced from PubChem (CID 142155508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).