7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid

C10H14O4 — CID 176528706

IUPAC7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid
SMILESCC(=C=CCCC(O)=CCO)C(=O)O
InChIInChI=1S/C10H14O4/c1-8(10(13)14)4-2-3-5-9(12)6-7-11/h2,6,11-12H,3,5,7H2,1H3,(H,13,14)
InChIKeyZEMUKRLIYFNSHT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.39
Rot. Bonds5

About 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid

7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid (PubChem CID 176528706) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid.

Molecular Properties

Compound Name7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid
PubChem CID176528706
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid
SMILESCC(=C=CCCC(O)=CCO)C(=O)O
InChIInChI=1S/C10H14O4/c1-8(10(13)14)4-2-3-5-9(12)6-7-11/h2,6,11-12H,3,5,7H2,1H3,(H,13,14)
InChIKeyZEMUKRLIYFNSHT-UHFFFAOYSA-N
XLogP1.39
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7,9-dihydroxy-2-methylnona-2,3,7-trienoic 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

4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid
CID 176528897
2-methylpenta-2,3-dienoic acid;phosphoric acid
CID 176527100
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
ethanol;oxalic acid
CID 172820699
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
CID 176528894
2-methyl-6-oxohept-2-enoic acid
CID 85419897
4-hydroxyhept-3-enoic acid
CID 88690122
(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol
CID 25192802
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid
CID 22867772

Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid?
The IUPAC name of 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid (CID 176528706) is 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid.
What is the SMILES notation for 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid?
The canonical SMILES for 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid is CC(=C=CCCC(O)=CCO)C(=O)O.
What is the InChIKey of 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid?
The InChIKey is ZEMUKRLIYFNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-8(10(13)14)4-2-3-5-9(12)6-7-11/h2,6,11-12H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid?
7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid is sourced from PubChem (CID 176528706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).