nonane-1,2,8,9-tetracarboxylic acid

C13H20O8 — CID 139878415

IUPACnonane-1,2,8,9-tetracarboxylic acid
SMILESO=C(O)CC(CCCCCC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C13H20O8/c14-10(15)6-8(12(18)19)4-2-1-3-5-9(13(20)21)7-11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyVTRFUVNPWPKKPD-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.29
Rot. Bonds12

About nonane-1,2,8,9-tetracarboxylic acid

nonane-1,2,8,9-tetracarboxylic acid (PubChem CID 139878415) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is nonane-1,2,8,9-tetracarboxylic acid.

Molecular Properties

Compound Namenonane-1,2,8,9-tetracarboxylic acid
PubChem CID139878415
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Namenonane-1,2,8,9-tetracarboxylic acid
SMILESO=C(O)CC(CCCCCC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C13H20O8/c14-10(15)6-8(12(18)19)4-2-1-3-5-9(13(20)21)7-11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyVTRFUVNPWPKKPD-UHFFFAOYSA-N
XLogP1.29
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze nonane-1,2,8,9-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptane-1,2,7-tricarboxylic acid
CID 86256210
heptadecane-1,2,17-tricarboxylic acid
CID 174547232
(2R)-2-dodecylbutanedioic acid
CID 98461760
2-hexadecylbutanedioic acid;octadecane
CID 174480572
CID 87764035
CID 87764035
2-(5-methylhexyl)butanedioic acid
CID 174966499
2-dodecylbutanedioic acid;propan-2-ol
CID 88833990
2-(12-sulfododecyl)butanedioic acid
CID 156703555
2-(7-methylpentadecyl)butanedioic acid
CID 141435269
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
2-(10,10-diethoxydecyl)butanedioic acid
CID 175433679
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909

Frequently Asked Questions

What is the IUPAC name of nonane-1,2,8,9-tetracarboxylic acid?
The IUPAC name of nonane-1,2,8,9-tetracarboxylic acid (CID 139878415) is nonane-1,2,8,9-tetracarboxylic acid.
What is the SMILES notation for nonane-1,2,8,9-tetracarboxylic acid?
The canonical SMILES for nonane-1,2,8,9-tetracarboxylic acid is O=C(O)CC(CCCCCC(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of nonane-1,2,8,9-tetracarboxylic acid?
The InChIKey is VTRFUVNPWPKKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O8/c14-10(15)6-8(12(18)19)4-2-1-3-5-9(13(20)21)7-11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of nonane-1,2,8,9-tetracarboxylic acid?
nonane-1,2,8,9-tetracarboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.29, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,2,8,9-tetracarboxylic acid is sourced from PubChem (CID 139878415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).