3-dimethoxyphosphoryl-3-methoxyprop-1-ene

C6H13O4P — CID 10261694

IUPAC3-dimethoxyphosphoryl-3-methoxyprop-1-ene
SMILESC=CC(OC)P(=O)(OC)OC
InChIInChI=1S/C6H13O4P/c1-5-6(8-2)11(7,9-3)10-4/h5-6H,1H2,2-4H3
InChIKeyCGVKIIKDSPUBGH-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.63
Rot. Bonds5

About 3-dimethoxyphosphoryl-3-methoxyprop-1-ene

3-dimethoxyphosphoryl-3-methoxyprop-1-ene (PubChem CID 10261694) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-3-methoxyprop-1-ene.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-3-methoxyprop-1-ene
PubChem CID10261694
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name3-dimethoxyphosphoryl-3-methoxyprop-1-ene
SMILESC=CC(OC)P(=O)(OC)OC
InChIInChI=1S/C6H13O4P/c1-5-6(8-2)11(7,9-3)10-4/h5-6H,1H2,2-4H3
InChIKeyCGVKIIKDSPUBGH-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-3-methoxyprop-1-ene?
The IUPAC name of 3-dimethoxyphosphoryl-3-methoxyprop-1-ene (CID 10261694) is 3-dimethoxyphosphoryl-3-methoxyprop-1-ene.
What is the SMILES notation for 3-dimethoxyphosphoryl-3-methoxyprop-1-ene?
The canonical SMILES for 3-dimethoxyphosphoryl-3-methoxyprop-1-ene is C=CC(OC)P(=O)(OC)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-3-methoxyprop-1-ene?
The InChIKey is CGVKIIKDSPUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-5-6(8-2)11(7,9-3)10-4/h5-6H,1H2,2-4H3.
What are the key properties of 3-dimethoxyphosphoryl-3-methoxyprop-1-ene?
3-dimethoxyphosphoryl-3-methoxyprop-1-ene has a molecular weight of 180.14 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-3-methoxyprop-1-ene is sourced from PubChem (CID 10261694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).