[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane

C13H17P — CID 142398112

IUPAC[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
SMILESC/C=C\C(=C/C)P(C)c1ccccc1
InChIInChI=1S/C13H17P/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h4-11H,1-3H3/b9-4-,12-5+
InChIKeyADVJFLRBVILALQ-AGGGZFENSA-N
MW204.25 g/mol
LogP3.90
Rot. Bonds3

About [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane

[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane (PubChem CID 142398112) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane.

Molecular Properties

Compound Name[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
PubChem CID142398112
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
SMILESC/C=C\C(=C/C)P(C)c1ccccc1
InChIInChI=1S/C13H17P/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h4-11H,1-3H3/b9-4-,12-5+
InChIKeyADVJFLRBVILALQ-AGGGZFENSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
CID 143802887
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane;iodomethane
CID 142091392
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
CID 156713969
[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
CID 130280362
[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
CID 130280885
ethane;triphenylphosphane
CID 90942156
2-penta-1,3-dien-2-ylphenol
CID 123148511
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
methyl [methyl(phenyl)phosphanyl]formate;hydrobromide
CID 174249624
borane;methyl(diphenyl)phosphane
CID 13485169

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane?
The IUPAC name of [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane (CID 142398112) is [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane.
What is the SMILES notation for [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane?
The canonical SMILES for [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane is C/C=C\C(=C/C)P(C)c1ccccc1.
What is the InChIKey of [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane?
The InChIKey is ADVJFLRBVILALQ-AGGGZFENSA-N. The full InChI is InChI=1S/C13H17P/c1-4-9-12(5-2)14(3)13-10-7-6-8-11-13/h4-11H,1-3H3/b9-4-,12-5+.
What are the key properties of [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane?
[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane has a molecular weight of 204.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane is sourced from PubChem (CID 142398112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).