(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene

C5H10ClO3P — CID 10932118

IUPAC(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(C/C=C/Cl)OC
InChIInChI=1S/C5H10ClO3P/c1-8-10(7,9-2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIFHKRUAMLSPZMZ-ONEGZZNKSA-N
MW184.56 g/mol
LogP2.22
Rot. Bonds4

About (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene

(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene (PubChem CID 10932118) has the molecular formula C5H10ClO3P and a molecular weight of 184.56 g/mol. Its IUPAC name is (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene
PubChem CID10932118
Molecular FormulaC5H10ClO3P
Molecular Weight184.56 g/mol
Exact Mass184.01
IUPAC Name(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene
SMILESCOP(=O)(C/C=C/Cl)OC
InChIInChI=1S/C5H10ClO3P/c1-8-10(7,9-2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIFHKRUAMLSPZMZ-ONEGZZNKSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene?
The IUPAC name of (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene (CID 10932118) is (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene is COP(=O)(C/C=C/Cl)OC.
What is the InChIKey of (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene?
The InChIKey is IFHKRUAMLSPZMZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10ClO3P/c1-8-10(7,9-2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene?
(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene has a molecular weight of 184.56 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 10932118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).