2-dimethoxyphosphorylprop-1-ene

C5H11O3P — CID 556478

IUPAC2-dimethoxyphosphorylprop-1-ene
SMILESC=C(C)P(=O)(OC)OC
InChIInChI=1S/C5H11O3P/c1-5(2)9(6,7-3)8-4/h1H2,2-4H3
InChIKeyIGUSXLGNCKJGFD-UHFFFAOYSA-N
MW150.11 g/mol
LogP2.01
Rot. Bonds3

About 2-dimethoxyphosphorylprop-1-ene

2-dimethoxyphosphorylprop-1-ene (PubChem CID 556478) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-dimethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name2-dimethoxyphosphorylprop-1-ene
PubChem CID556478
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-dimethoxyphosphorylprop-1-ene
SMILESC=C(C)P(=O)(OC)OC
InChIInChI=1S/C5H11O3P/c1-5(2)9(6,7-3)8-4/h1H2,2-4H3
InChIKeyIGUSXLGNCKJGFD-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 52.01
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 2-dimethoxyphosphorylprop-1-ene?
The IUPAC name of 2-dimethoxyphosphorylprop-1-ene (CID 556478) is 2-dimethoxyphosphorylprop-1-ene.
What is the SMILES notation for 2-dimethoxyphosphorylprop-1-ene?
The canonical SMILES for 2-dimethoxyphosphorylprop-1-ene is C=C(C)P(=O)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphorylprop-1-ene?
The InChIKey is IGUSXLGNCKJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-5(2)9(6,7-3)8-4/h1H2,2-4H3.
What are the key properties of 2-dimethoxyphosphorylprop-1-ene?
2-dimethoxyphosphorylprop-1-ene has a molecular weight of 150.11 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylprop-1-ene is sourced from PubChem (CID 556478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).