3-chloro-2-diethoxyphosphorylprop-1-ene

C7H14ClO3P — CID 10584674

IUPAC3-chloro-2-diethoxyphosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OCC)OCC
InChIInChI=1S/C7H14ClO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3
InChIKeyYCKJOMWMLCSGAM-UHFFFAOYSA-N
MW212.61 g/mol
LogP3.01
Rot. Bonds6

About 3-chloro-2-diethoxyphosphorylprop-1-ene

3-chloro-2-diethoxyphosphorylprop-1-ene (PubChem CID 10584674) has the molecular formula C7H14ClO3P and a molecular weight of 212.61 g/mol. Its IUPAC name is 3-chloro-2-diethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name3-chloro-2-diethoxyphosphorylprop-1-ene
PubChem CID10584674
Molecular FormulaC7H14ClO3P
Molecular Weight212.61 g/mol
Exact Mass212.04
IUPAC Name3-chloro-2-diethoxyphosphorylprop-1-ene
SMILESC=C(CCl)P(=O)(OCC)OCC
InChIInChI=1S/C7H14ClO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3
InChIKeyYCKJOMWMLCSGAM-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-diethoxyphosphorylprop-1-ene?
The IUPAC name of 3-chloro-2-diethoxyphosphorylprop-1-ene (CID 10584674) is 3-chloro-2-diethoxyphosphorylprop-1-ene.
What is the SMILES notation for 3-chloro-2-diethoxyphosphorylprop-1-ene?
The canonical SMILES for 3-chloro-2-diethoxyphosphorylprop-1-ene is C=C(CCl)P(=O)(OCC)OCC.
What is the InChIKey of 3-chloro-2-diethoxyphosphorylprop-1-ene?
The InChIKey is YCKJOMWMLCSGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3.
What are the key properties of 3-chloro-2-diethoxyphosphorylprop-1-ene?
3-chloro-2-diethoxyphosphorylprop-1-ene has a molecular weight of 212.61 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-diethoxyphosphorylprop-1-ene is sourced from PubChem (CID 10584674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).