(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene

C11H20ClO3P — CID 12644832

IUPAC(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
SMILESCCOP(=O)(/C=C(\Cl)C(C)=C(C)C)OCC
InChIInChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8-
InChIKeyLUOHGUDUVCFMEY-FLIBITNWSA-N
MW266.70 g/mol
LogP4.69
Rot. Bonds6

About (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene

(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene (PubChem CID 12644832) has the molecular formula C11H20ClO3P and a molecular weight of 266.70 g/mol. Its IUPAC name is (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
PubChem CID12644832
Molecular FormulaC11H20ClO3P
Molecular Weight266.70 g/mol
Exact Mass266.08
IUPAC Name(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
SMILESCCOP(=O)(/C=C(\Cl)C(C)=C(C)C)OCC
InChIInChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8-
InChIKeyLUOHGUDUVCFMEY-FLIBITNWSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.69
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 (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-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-chloro-1-ethoxy-3,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 372643
4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide
CID 372644
3-Chloro-2-dipropoxyphosphoryl-4-methylpenta-1,3-diene
CID 12574698
3-Chloro-2-dibutoxyphosphoryl-4-methylpenta-1,3-diene
CID 12574699
(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644830
(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene
CID 23272374
Dimethyl (2-chloro-3-methylpenta-1,3-dien-1-yl)phosphonate
CID 71321946
Diethyl (2-chloro-3-methylpenta-1,3-dien-1-yl)phosphonate
CID 71321947
Diethyl (2-chloro-3-ethylpenta-1,3-dien-1-yl)phosphonate
CID 71321949
Diethyl (2-chloro-3,4-dimethylpenta-1,3-dien-1-yl)phosphonate
CID 71321952
1-Chloro-5-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 101788634
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-methylpenta-1,3-diene
CID 171377941

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The IUPAC name of (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene (CID 12644832) is (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene.
What is the SMILES notation for (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The canonical SMILES for (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene is CCOP(=O)(/C=C(\Cl)C(C)=C(C)C)OCC.
What is the InChIKey of (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The InChIKey is LUOHGUDUVCFMEY-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8-.
What are the key properties of (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene has a molecular weight of 266.70 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene is sourced from PubChem (CID 12644832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).