9-carboxynonyl-hydroxy-oxophosphanium

C10H20O4P+ — CID 122588601

IUPAC9-carboxynonyl-hydroxy-oxophosphanium
SMILESO=C(O)CCCCCCCCC[P+](=O)O
InChIInChI=1S/C10H19O4P/c11-10(12)8-6-4-2-1-3-5-7-9-15(13)14/h1-9H2,(H-,11,12,13,14)/p+1
InChIKeyQRXYMIFBLGFKAL-UHFFFAOYSA-O
MW235.24 g/mol
LogP2.93
Rot. Bonds10

About 9-carboxynonyl-hydroxy-oxophosphanium

9-carboxynonyl-hydroxy-oxophosphanium (PubChem CID 122588601) has the molecular formula C10H20O4P+ and a molecular weight of 235.24 g/mol. Its IUPAC name is 9-carboxynonyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name9-carboxynonyl-hydroxy-oxophosphanium
PubChem CID122588601
Molecular FormulaC10H20O4P+
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name9-carboxynonyl-hydroxy-oxophosphanium
SMILESO=C(O)CCCCCCCCC[P+](=O)O
InChIInChI=1S/C10H19O4P/c11-10(12)8-6-4-2-1-3-5-7-9-15(13)14/h1-9H2,(H-,11,12,13,14)/p+1
InChIKeyQRXYMIFBLGFKAL-UHFFFAOYSA-O
XLogP2.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-carboxypentyl-hydroxy-oxophosphanium
CID 87652848
10-carboxydecyl-oxido-oxophosphanium
CID 102297896
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of 9-carboxynonyl-hydroxy-oxophosphanium?
The IUPAC name of 9-carboxynonyl-hydroxy-oxophosphanium (CID 122588601) is 9-carboxynonyl-hydroxy-oxophosphanium.
What is the SMILES notation for 9-carboxynonyl-hydroxy-oxophosphanium?
The canonical SMILES for 9-carboxynonyl-hydroxy-oxophosphanium is O=C(O)CCCCCCCCC[P+](=O)O.
What is the InChIKey of 9-carboxynonyl-hydroxy-oxophosphanium?
The InChIKey is QRXYMIFBLGFKAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19O4P/c11-10(12)8-6-4-2-1-3-5-7-9-15(13)14/h1-9H2,(H-,11,12,13,14)/p+1.
What are the key properties of 9-carboxynonyl-hydroxy-oxophosphanium?
9-carboxynonyl-hydroxy-oxophosphanium has a molecular weight of 235.24 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carboxynonyl-hydroxy-oxophosphanium is sourced from PubChem (CID 122588601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).