9-hydroxy-3,7-dimethylnona-3,7-dienoic acid

C11H18O3 — CID 54505470

IUPAC9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
SMILESCC(=CCO)CCC=C(C)CC(=O)O
InChIInChI=1S/C11H18O3/c1-9(6-7-12)4-3-5-10(2)8-11(13)14/h5-6,12H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyYFJFMRMZFRGVEX-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.13
Rot. Bonds6

About 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid

9-hydroxy-3,7-dimethylnona-3,7-dienoic acid (PubChem CID 54505470) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid.

Molecular Properties

Compound Name9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
PubChem CID54505470
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
SMILESCC(=CCO)CCC=C(C)CC(=O)O
InChIInChI=1S/C11H18O3/c1-9(6-7-12)4-3-5-10(2)8-11(13)14/h5-6,12H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyYFJFMRMZFRGVEX-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-hydroxy-3,7-dimethylnona-3,7-dienoic 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

acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058
(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 86742985
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid?
The IUPAC name of 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid (CID 54505470) is 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid.
What is the SMILES notation for 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid?
The canonical SMILES for 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid is CC(=CCO)CCC=C(C)CC(=O)O.
What is the InChIKey of 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid?
The InChIKey is YFJFMRMZFRGVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(6-7-12)4-3-5-10(2)8-11(13)14/h5-6,12H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid?
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3,7-dimethylnona-3,7-dienoic acid is sourced from PubChem (CID 54505470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).