1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone

C5H11O2P — CID 58059275

IUPAC1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone
SMILESC=P(C)(OC)C(C)=O
InChIInChI=1S/C5H11O2P/c1-5(6)8(3,4)7-2/h3H2,1-2,4H3
InChIKeyRLWRCAARTDAQHJ-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.17
Rot. Bonds2

About 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone

1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone (PubChem CID 58059275) has the molecular formula C5H11O2P and a molecular weight of 134.12 g/mol. Its IUPAC name is 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone.

Molecular Properties

Compound Name1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone
PubChem CID58059275
Molecular FormulaC5H11O2P
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone
SMILESC=P(C)(OC)C(C)=O
InChIInChI=1S/C5H11O2P/c1-5(6)8(3,4)7-2/h3H2,1-2,4H3
InChIKeyRLWRCAARTDAQHJ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.17
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-methylidene-λ5-phosphanyl)ethanone?
The IUPAC name of 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone (CID 58059275) is 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone.
What is the SMILES notation for 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone?
The canonical SMILES for 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone is C=P(C)(OC)C(C)=O.
What is the InChIKey of 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone?
The InChIKey is RLWRCAARTDAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P/c1-5(6)8(3,4)7-2/h3H2,1-2,4H3.
What are the key properties of 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone?
1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone has a molecular weight of 134.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxy-methyl-methylidene-λ5-phosphanyl)ethanone is sourced from PubChem (CID 58059275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).