1-carboxyprop-1-enyl-ethoxy-oxophosphanium

C6H10O4P+ — CID 174433307

IUPAC1-carboxyprop-1-enyl-ethoxy-oxophosphanium
SMILESCC=C(C(=O)O)[P+](=O)OCC
InChIInChI=1S/C6H9O4P/c1-3-5(6(7)8)11(9)10-4-2/h3H,4H2,1-2H3/p+1
InChIKeyWIQHJCXDOASXDQ-UHFFFAOYSA-O
MW177.12 g/mol
LogP1.75
Rot. Bonds4

About 1-carboxyprop-1-enyl-ethoxy-oxophosphanium

1-carboxyprop-1-enyl-ethoxy-oxophosphanium (PubChem CID 174433307) has the molecular formula C6H10O4P+ and a molecular weight of 177.12 g/mol. Its IUPAC name is 1-carboxyprop-1-enyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name1-carboxyprop-1-enyl-ethoxy-oxophosphanium
PubChem CID174433307
Molecular FormulaC6H10O4P+
Molecular Weight177.12 g/mol
Exact Mass177.03
IUPAC Name1-carboxyprop-1-enyl-ethoxy-oxophosphanium
SMILESCC=C(C(=O)O)[P+](=O)OCC
InChIInChI=1S/C6H9O4P/c1-3-5(6(7)8)11(9)10-4-2/h3H,4H2,1-2H3/p+1
InChIKeyWIQHJCXDOASXDQ-UHFFFAOYSA-O
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetyl-ethoxy-oxophosphanium
CID 87455010
ethoxy-oct-1-en-2-yl-oxophosphanium
CID 11816552
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
CID 175582823
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
ethyl carbamate;(E)-2-methylbut-2-enoic acid
CID 22492613
3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
CID 130463737
ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879
CID 157268042
CID 157268042
acetaldehyde;2-oxobutanoic acid
CID 157461370
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369

Frequently Asked Questions

What is the IUPAC name of 1-carboxyprop-1-enyl-ethoxy-oxophosphanium?
The IUPAC name of 1-carboxyprop-1-enyl-ethoxy-oxophosphanium (CID 174433307) is 1-carboxyprop-1-enyl-ethoxy-oxophosphanium.
What is the SMILES notation for 1-carboxyprop-1-enyl-ethoxy-oxophosphanium?
The canonical SMILES for 1-carboxyprop-1-enyl-ethoxy-oxophosphanium is CC=C(C(=O)O)[P+](=O)OCC.
What is the InChIKey of 1-carboxyprop-1-enyl-ethoxy-oxophosphanium?
The InChIKey is WIQHJCXDOASXDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9O4P/c1-3-5(6(7)8)11(9)10-4-2/h3H,4H2,1-2H3/p+1.
What are the key properties of 1-carboxyprop-1-enyl-ethoxy-oxophosphanium?
1-carboxyprop-1-enyl-ethoxy-oxophosphanium has a molecular weight of 177.12 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyprop-1-enyl-ethoxy-oxophosphanium is sourced from PubChem (CID 174433307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).