2-hydroxynonanedioic acid

C9H16O5 — CID 12760708

IUPAC2-hydroxynonanedioic acid
SMILESO=C(O)CCCCCCC(O)C(=O)O
InChIInChI=1S/C9H16O5/c10-7(9(13)14)5-3-1-2-4-6-8(11)12/h7,10H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNJGWVQZGYUBQFL-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.86
Rot. Bonds8

About 2-hydroxynonanedioic acid

2-hydroxynonanedioic acid (PubChem CID 12760708) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-hydroxynonanedioic acid.

Molecular Properties

Compound Name2-hydroxynonanedioic acid
PubChem CID12760708
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-hydroxynonanedioic acid
SMILESO=C(O)CCCCCCC(O)C(=O)O
InChIInChI=1S/C9H16O5/c10-7(9(13)14)5-3-1-2-4-6-8(11)12/h7,10H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNJGWVQZGYUBQFL-UHFFFAOYSA-N
XLogP0.86
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyheptanedioic acid
CID 160889869
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
hexanedioic acid;2-hydroxyoctadecanoic acid;octadecanoic acid;propane-1,2,3-triol
CID 131718041
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
7,8-dihydroxyhexadecanedioic acid
CID 14556981
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
henicosane-1,11,21-tricarboxylic acid
CID 12632759
2,10-dihydroxydecanoic acid
CID 23158566
5-hydroxytridecanedioic acid
CID 139805426
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
CID 129391242

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynonanedioic acid?
The IUPAC name of 2-hydroxynonanedioic acid (CID 12760708) is 2-hydroxynonanedioic acid.
What is the SMILES notation for 2-hydroxynonanedioic acid?
The canonical SMILES for 2-hydroxynonanedioic acid is O=C(O)CCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxynonanedioic acid?
The InChIKey is NJGWVQZGYUBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c10-7(9(13)14)5-3-1-2-4-6-8(11)12/h7,10H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxynonanedioic acid?
2-hydroxynonanedioic acid has a molecular weight of 204.22 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynonanedioic acid is sourced from PubChem (CID 12760708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).