1-[methoxy(methyl)phosphoryl]oxyethyne

C4H7O3P — CID 175532807

IUPAC1-[methoxy(methyl)phosphoryl]oxyethyne
SMILESC#COP(C)(=O)OC
InChIInChI=1S/C4H7O3P/c1-4-7-8(3,5)6-2/h1H,2-3H3
InChIKeyWVESXEDJKZZPRL-UHFFFAOYSA-N
MW134.07 g/mol
LogP1.06
Rot. Bonds2

About 1-[methoxy(methyl)phosphoryl]oxyethyne

1-[methoxy(methyl)phosphoryl]oxyethyne (PubChem CID 175532807) has the molecular formula C4H7O3P and a molecular weight of 134.07 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxyethyne.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxyethyne
PubChem CID175532807
Molecular FormulaC4H7O3P
Molecular Weight134.07 g/mol
Exact Mass134.01
IUPAC Name1-[methoxy(methyl)phosphoryl]oxyethyne
SMILESC#COP(C)(=O)OC
InChIInChI=1S/C4H7O3P/c1-4-7-8(3,5)6-2/h1H,2-3H3
InChIKeyWVESXEDJKZZPRL-UHFFFAOYSA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.07
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]oxyethyne?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxyethyne (CID 175532807) is 1-[methoxy(methyl)phosphoryl]oxyethyne.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxyethyne?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxyethyne is C#COP(C)(=O)OC.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxyethyne?
The InChIKey is WVESXEDJKZZPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O3P/c1-4-7-8(3,5)6-2/h1H,2-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxyethyne?
1-[methoxy(methyl)phosphoryl]oxyethyne has a molecular weight of 134.07 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxyethyne is sourced from PubChem (CID 175532807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).