(3-methoxy-3-oxopropyl)-trimethylphosphanium

C7H16O2P+ — CID 87216267

IUPAC(3-methoxy-3-oxopropyl)-trimethylphosphanium
SMILESCOC(=O)CC[P+](C)(C)C
InChIInChI=1S/C7H16O2P/c1-9-7(8)5-6-10(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyZFSZEQMUFSUZLQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.46
Rot. Bonds3

About (3-methoxy-3-oxopropyl)-trimethylphosphanium

(3-methoxy-3-oxopropyl)-trimethylphosphanium (PubChem CID 87216267) has the molecular formula C7H16O2P+ and a molecular weight of 163.18 g/mol. Its IUPAC name is (3-methoxy-3-oxopropyl)-trimethylphosphanium.

Molecular Properties

Compound Name(3-methoxy-3-oxopropyl)-trimethylphosphanium
PubChem CID87216267
Molecular FormulaC7H16O2P+
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name(3-methoxy-3-oxopropyl)-trimethylphosphanium
SMILESCOC(=O)CC[P+](C)(C)C
InChIInChI=1S/C7H16O2P/c1-9-7(8)5-6-10(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyZFSZEQMUFSUZLQ-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methoxy-3-oxopropyl)-trimethylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-methylheptanedioate
CID 521222
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
dimethyl 4-methyltetradecanedioate
CID 87116988
methyl 4-methyl-6-oxohexanoate
CID 24976623
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl 4-amino-4-bromobutanoate
CID 175158187
CID 59259624
CID 59259624
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
methyl 4,11-dimethyldodecanoate
CID 139586473

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-oxopropyl)-trimethylphosphanium?
The IUPAC name of (3-methoxy-3-oxopropyl)-trimethylphosphanium (CID 87216267) is (3-methoxy-3-oxopropyl)-trimethylphosphanium.
What is the SMILES notation for (3-methoxy-3-oxopropyl)-trimethylphosphanium?
The canonical SMILES for (3-methoxy-3-oxopropyl)-trimethylphosphanium is COC(=O)CC[P+](C)(C)C.
What is the InChIKey of (3-methoxy-3-oxopropyl)-trimethylphosphanium?
The InChIKey is ZFSZEQMUFSUZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2P/c1-9-7(8)5-6-10(2,3)4/h5-6H2,1-4H3/q+1.
What are the key properties of (3-methoxy-3-oxopropyl)-trimethylphosphanium?
(3-methoxy-3-oxopropyl)-trimethylphosphanium has a molecular weight of 163.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-oxopropyl)-trimethylphosphanium is sourced from PubChem (CID 87216267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).