(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene

C8H14ClO3P — CID 15564797

IUPAC(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene
SMILESC=C(C)/C(=C(/C)Cl)P(=O)(OC)OC
InChIInChI=1S/C8H14ClO3P/c1-6(2)8(7(3)9)13(10,11-4)12-5/h1H2,2-5H3/b8-7+
InChIKeyCCEWFJDDPJTFNP-BQYQJAHWSA-N
MW224.62 g/mol
LogP3.52
Rot. Bonds4

About (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene

(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene (PubChem CID 15564797) has the molecular formula C8H14ClO3P and a molecular weight of 224.62 g/mol. Its IUPAC name is (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene
PubChem CID15564797
Molecular FormulaC8H14ClO3P
Molecular Weight224.62 g/mol
Exact Mass224.04
IUPAC Name(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene
SMILESC=C(C)/C(=C(/C)Cl)P(=O)(OC)OC
InChIInChI=1S/C8H14ClO3P/c1-6(2)8(7(3)9)13(10,11-4)12-5/h1H2,2-5H3/b8-7+
InChIKeyCCEWFJDDPJTFNP-BQYQJAHWSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene 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

4,5-Dichloro-1-methoxy-3,6-dimethyl-phosphepine 1-oxide
CID 13811069
4-chloro-1-ethoxy-3,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 372643
4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 10954405
Dfjwmlurzuoahk-uhfffaoysa-
CID 12571770
4-Chloro-1-methoxy-3,5-dimethyl-1,2-dihydro-1lambda~5~-phosphinin-1-one
CID 13811068
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644829
(1E,3E)-1-chloro-2-dimethoxyphosphoryl-3-methylpenta-1,3-diene
CID 15564801
Dimethyl (2-chloro-3-methylpenta-1,3-dien-1-yl)phosphonate
CID 71321946
Dimethyl (2-chloro-3-ethylpenta-1,3-dien-1-yl)phosphonate
CID 71321948
Dimethyl (2-chloro-2,4-dimethylpent-3-en-1-yl)phosphonate
CID 71392970
(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene
CID 143299007
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-methylpenta-1,3-diene
CID 171377941

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene?
The IUPAC name of (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene (CID 15564797) is (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene.
What is the SMILES notation for (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene?
The canonical SMILES for (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene is C=C(C)/C(=C(/C)Cl)P(=O)(OC)OC.
What is the InChIKey of (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene?
The InChIKey is CCEWFJDDPJTFNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14ClO3P/c1-6(2)8(7(3)9)13(10,11-4)12-5/h1H2,2-5H3/b8-7+.
What are the key properties of (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene?
(3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene has a molecular weight of 224.62 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-3-dimethoxyphosphoryl-2-methylpenta-1,3-diene is sourced from PubChem (CID 15564797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).