4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene

C10H16ClO3P — CID 165346718

IUPAC4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene
SMILESC=CCOP(=O)(CC(Cl)C=C)OCC=C
InChIInChI=1S/C10H16ClO3P/c1-4-7-13-15(12,14-8-5-2)9-10(11)6-3/h4-6,10H,1-3,7-9H2
InChIKeyQXSNNQVMNFSECN-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.38
Rot. Bonds9

About 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene

4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene (PubChem CID 165346718) has the molecular formula C10H16ClO3P and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene.

Molecular Properties

Compound Name4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene
PubChem CID165346718
Molecular FormulaC10H16ClO3P
Molecular Weight250.66 g/mol
Exact Mass250.05
IUPAC Name4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene
SMILESC=CCOP(=O)(CC(Cl)C=C)OCC=C
InChIInChI=1S/C10H16ClO3P/c1-4-7-13-15(12,14-8-5-2)9-10(11)6-3/h4-6,10H,1-3,7-9H2
InChIKeyQXSNNQVMNFSECN-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.38
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-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-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-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene?
The IUPAC name of 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene (CID 165346718) is 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene.
What is the SMILES notation for 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene?
The canonical SMILES for 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene is C=CCOP(=O)(CC(Cl)C=C)OCC=C.
What is the InChIKey of 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene?
The InChIKey is QXSNNQVMNFSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClO3P/c1-4-7-13-15(12,14-8-5-2)9-10(11)6-3/h4-6,10H,1-3,7-9H2.
What are the key properties of 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene?
4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene has a molecular weight of 250.66 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(prop-2-enoxy)phosphoryl-3-chlorobut-1-ene is sourced from PubChem (CID 165346718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).