4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene

C9H18ClO3P — CID 71392970

IUPAC4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene
SMILESCOP(=O)(CC(C)(Cl)C=C(C)C)OC
InChIInChI=1S/C9H18ClO3P/c1-8(2)6-9(3,10)7-14(11,12-4)13-5/h6H,7H2,1-5H3
InChIKeyFQBZCSNYXVFAPG-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.44
Rot. Bonds5

About 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene

4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene (PubChem CID 71392970) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene.

Molecular Properties

Compound Name4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene
PubChem CID71392970
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene
SMILESCOP(=O)(CC(C)(Cl)C=C(C)C)OC
InChIInChI=1S/C9H18ClO3P/c1-8(2)6-9(3,10)7-14(11,12-4)13-5/h6H,7H2,1-5H3
InChIKeyFQBZCSNYXVFAPG-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene?
The IUPAC name of 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene (CID 71392970) is 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene.
What is the SMILES notation for 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene?
The canonical SMILES for 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene is COP(=O)(CC(C)(Cl)C=C(C)C)OC.
What is the InChIKey of 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene?
The InChIKey is FQBZCSNYXVFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-8(2)6-9(3,10)7-14(11,12-4)13-5/h6H,7H2,1-5H3.
What are the key properties of 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene?
4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene has a molecular weight of 240.67 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-dimethoxyphosphoryl-2,4-dimethylpent-2-ene is sourced from PubChem (CID 71392970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).