acetyl-methyl-oxophosphanium;methane

C5H14O2P+ — CID 160705504

IUPACacetyl-methyl-oxophosphanium;methane
SMILESC.C.CC(=O)[P+](C)=O
InChIInChI=1S/C3H6O2P.2CH4/c1-3(4)6(2)5;;/h1-2H3;2*1H4/q+1;;
InChIKeyRHIGBYQGWDIXBO-UHFFFAOYSA-N
MW137.14 g/mol
LogP2.26
Rot. Bonds1

About acetyl-methyl-oxophosphanium;methane

acetyl-methyl-oxophosphanium;methane (PubChem CID 160705504) has the molecular formula C5H14O2P+ and a molecular weight of 137.14 g/mol. Its IUPAC name is acetyl-methyl-oxophosphanium;methane.

Molecular Properties

Compound Nameacetyl-methyl-oxophosphanium;methane
PubChem CID160705504
Molecular FormulaC5H14O2P+
Molecular Weight137.14 g/mol
Exact Mass137.07
IUPAC Nameacetyl-methyl-oxophosphanium;methane
SMILESC.C.CC(=O)[P+](C)=O
InChIInChI=1S/C3H6O2P.2CH4/c1-3(4)6(2)5;;/h1-2H3;2*1H4/q+1;;
InChIKeyRHIGBYQGWDIXBO-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 52.26
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 acetyl-methyl-oxophosphanium;methane?
The IUPAC name of acetyl-methyl-oxophosphanium;methane (CID 160705504) is acetyl-methyl-oxophosphanium;methane.
What is the SMILES notation for acetyl-methyl-oxophosphanium;methane?
The canonical SMILES for acetyl-methyl-oxophosphanium;methane is C.C.CC(=O)[P+](C)=O.
What is the InChIKey of acetyl-methyl-oxophosphanium;methane?
The InChIKey is RHIGBYQGWDIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2P.2CH4/c1-3(4)6(2)5;;/h1-2H3;2*1H4/q+1;;.
What are the key properties of acetyl-methyl-oxophosphanium;methane?
acetyl-methyl-oxophosphanium;methane has a molecular weight of 137.14 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-methyl-oxophosphanium;methane is sourced from PubChem (CID 160705504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).