2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene

C6H12ClO3P — CID 10774355

IUPAC2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene
SMILESC=C(CCl)CP(=O)(OC)OC
InChIInChI=1S/C6H12ClO3P/c1-6(4-7)5-11(8,9-2)10-3/h1,4-5H2,2-3H3
InChIKeyGYJWZJMRHWAWJJ-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.27
Rot. Bonds5

About 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene

2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene (PubChem CID 10774355) has the molecular formula C6H12ClO3P and a molecular weight of 198.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene
PubChem CID10774355
Molecular FormulaC6H12ClO3P
Molecular Weight198.59 g/mol
Exact Mass198.02
IUPAC Name2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene
SMILESC=C(CCl)CP(=O)(OC)OC
InChIInChI=1S/C6H12ClO3P/c1-6(4-7)5-11(8,9-2)10-3/h1,4-5H2,2-3H3
InChIKeyGYJWZJMRHWAWJJ-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.27
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'}

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Related Compounds

1-Chloro-2-methylene propane-3-phosphonic acid diethyl ester
CID 54311690
(3-Chloro-2-methylprop-1-enyl)phosphonic acid
CID 153893285
3-Chloro-2-dimethoxyphosphorylprop-1-ene
CID 10932117
(E)-1-chloro-3-dimethoxyphosphorylprop-1-ene
CID 10932118
4-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11207164
(E)-1,3-dichloro-2-dimethoxyphosphorylprop-1-ene
CID 15564785
(E)-2,3-dichloro-1-dimethoxyphosphorylprop-1-ene
CID 15564787
(1E)-1-chloro-2-dimethoxyphosphoryl-3-methylbuta-1,3-diene
CID 15564799
2-(Chloromethyl)prop-2-enylphosphonic acid
CID 21560501

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene (CID 10774355) is 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene is C=C(CCl)CP(=O)(OC)OC.
What is the InChIKey of 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene?
The InChIKey is GYJWZJMRHWAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO3P/c1-6(4-7)5-11(8,9-2)10-3/h1,4-5H2,2-3H3.
What are the key properties of 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene?
2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene has a molecular weight of 198.59 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 10774355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).