1-[methoxy(methyl)phosphoryl]ethene

C4H9O2P — CID 6454580

IUPAC1-[methoxy(methyl)phosphoryl]ethene
SMILESC=CP(C)(=O)OC
InChIInChI=1S/C4H9O2P/c1-4-7(3,5)6-2/h4H,1H2,2-3H3
InChIKeyJGKYKHWBHHCLEP-UHFFFAOYSA-N
MW120.09 g/mol
LogP1.68
Rot. Bonds2

About 1-[methoxy(methyl)phosphoryl]ethene

1-[methoxy(methyl)phosphoryl]ethene (PubChem CID 6454580) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]ethene.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]ethene
PubChem CID6454580
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name1-[methoxy(methyl)phosphoryl]ethene
SMILESC=CP(C)(=O)OC
InChIInChI=1S/C4H9O2P/c1-4-7(3,5)6-2/h4H,1H2,2-3H3
InChIKeyJGKYKHWBHHCLEP-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]ethene?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]ethene (CID 6454580) is 1-[methoxy(methyl)phosphoryl]ethene.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]ethene?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]ethene is C=CP(C)(=O)OC.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]ethene?
The InChIKey is JGKYKHWBHHCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c1-4-7(3,5)6-2/h4H,1H2,2-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]ethene?
1-[methoxy(methyl)phosphoryl]ethene has a molecular weight of 120.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]ethene is sourced from PubChem (CID 6454580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).