1-carboxypropyl-methyl-oxophosphanium

C5H10O3P+ — CID 19914406

IUPAC1-carboxypropyl-methyl-oxophosphanium
SMILESCCC(C(=O)O)[P+](C)=O
InChIInChI=1S/C5H9O3P/c1-3-4(5(6)7)9(2)8/h4H,3H2,1-2H3/p+1
InChIKeyUJHOCOXRQXPAQJ-UHFFFAOYSA-O
MW149.11 g/mol
LogP1.31
Rot. Bonds3

About 1-carboxypropyl-methyl-oxophosphanium

1-carboxypropyl-methyl-oxophosphanium (PubChem CID 19914406) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-carboxypropyl-methyl-oxophosphanium.

Molecular Properties

Compound Name1-carboxypropyl-methyl-oxophosphanium
PubChem CID19914406
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name1-carboxypropyl-methyl-oxophosphanium
SMILESCCC(C(=O)O)[P+](C)=O
InChIInChI=1S/C5H9O3P/c1-3-4(5(6)7)9(2)8/h4H,3H2,1-2H3/p+1
InChIKeyUJHOCOXRQXPAQJ-UHFFFAOYSA-O
XLogP1.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-carboxypropyl-methyl-oxophosphanium?
The IUPAC name of 1-carboxypropyl-methyl-oxophosphanium (CID 19914406) is 1-carboxypropyl-methyl-oxophosphanium.
What is the SMILES notation for 1-carboxypropyl-methyl-oxophosphanium?
The canonical SMILES for 1-carboxypropyl-methyl-oxophosphanium is CCC(C(=O)O)[P+](C)=O.
What is the InChIKey of 1-carboxypropyl-methyl-oxophosphanium?
The InChIKey is UJHOCOXRQXPAQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O3P/c1-3-4(5(6)7)9(2)8/h4H,3H2,1-2H3/p+1.
What are the key properties of 1-carboxypropyl-methyl-oxophosphanium?
1-carboxypropyl-methyl-oxophosphanium has a molecular weight of 149.11 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxypropyl-methyl-oxophosphanium is sourced from PubChem (CID 19914406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).