carboxymethyl(triethoxy)phosphanium

C8H18O5P+ — CID 18978899

IUPACcarboxymethyl(triethoxy)phosphanium
SMILESCCO[P+](CC(=O)O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-14(12-5-2,13-6-3)7-8(9)10/h4-7H2,1-3H3/p+1
InChIKeyGQJNWODPMRDLJB-UHFFFAOYSA-O
MW225.20 g/mol
LogP1.94
Rot. Bonds8

About carboxymethyl(triethoxy)phosphanium

carboxymethyl(triethoxy)phosphanium (PubChem CID 18978899) has the molecular formula C8H18O5P+ and a molecular weight of 225.20 g/mol. Its IUPAC name is carboxymethyl(triethoxy)phosphanium.

Molecular Properties

Compound Namecarboxymethyl(triethoxy)phosphanium
PubChem CID18978899
Molecular FormulaC8H18O5P+
Molecular Weight225.20 g/mol
Exact Mass225.09
IUPAC Namecarboxymethyl(triethoxy)phosphanium
SMILESCCO[P+](CC(=O)O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-14(12-5-2,13-6-3)7-8(9)10/h4-7H2,1-3H3/p+1
InChIKeyGQJNWODPMRDLJB-UHFFFAOYSA-O
XLogP1.94
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxybutanoic acid
CID 20508399
(2R)-2-ethoxybutanedioic acid
CID 101245963
carbonic acid;1,1-diethoxyethane
CID 87827362
2-(2-deuterioethoxy)butanedioic acid
CID 175726030
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
3,3-bis(dimethylphosphoryl)propanoic acid
CID 155820609
ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium
CID 175079644
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
6-ethoxy-3,4-bis(ethoxycarbonyl)-6-oxohexanoic acid
CID 18705246
ethane;4-ethoxy-3-methyl-4-oxobutanoic acid
CID 122506118
3-chloro-4-ethoxy-4-oxobutanoic acid
CID 23366083
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486

Frequently Asked Questions

What is the IUPAC name of carboxymethyl(triethoxy)phosphanium?
The IUPAC name of carboxymethyl(triethoxy)phosphanium (CID 18978899) is carboxymethyl(triethoxy)phosphanium.
What is the SMILES notation for carboxymethyl(triethoxy)phosphanium?
The canonical SMILES for carboxymethyl(triethoxy)phosphanium is CCO[P+](CC(=O)O)(OCC)OCC.
What is the InChIKey of carboxymethyl(triethoxy)phosphanium?
The InChIKey is GQJNWODPMRDLJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O5P/c1-4-11-14(12-5-2,13-6-3)7-8(9)10/h4-7H2,1-3H3/p+1.
What are the key properties of carboxymethyl(triethoxy)phosphanium?
carboxymethyl(triethoxy)phosphanium has a molecular weight of 225.20 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(triethoxy)phosphanium is sourced from PubChem (CID 18978899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).