7-hydroxy-2-methylocta-2,4-dienoic acid

C9H14O3 — CID 154067734

IUPAC7-hydroxy-2-methylocta-2,4-dienoic acid
SMILESCC(=CC=CCC(C)O)C(=O)O
InChIInChI=1S/C9H14O3/c1-7(9(11)12)5-3-4-6-8(2)10/h3-5,8,10H,6H2,1-2H3,(H,11,12)
InChIKeyAURWNFSYBLNFJZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.34
Rot. Bonds4

About 7-hydroxy-2-methylocta-2,4-dienoic acid

7-hydroxy-2-methylocta-2,4-dienoic acid (PubChem CID 154067734) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 7-hydroxy-2-methylocta-2,4-dienoic acid.

Molecular Properties

Compound Name7-hydroxy-2-methylocta-2,4-dienoic acid
PubChem CID154067734
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name7-hydroxy-2-methylocta-2,4-dienoic acid
SMILESCC(=CC=CCC(C)O)C(=O)O
InChIInChI=1S/C9H14O3/c1-7(9(11)12)5-3-4-6-8(2)10/h3-5,8,10H,6H2,1-2H3,(H,11,12)
InChIKeyAURWNFSYBLNFJZ-UHFFFAOYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7-hydroxy-2-methylocta-2,4-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

8-methoxy-2,7-dimethyl-8-oxoocta-2,4-dienoic acid
CID 174694127
2,7,10,11-tetramethyldodeca-2,4-dienoic acid
CID 54204966
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
CID 55302737
(4Z,6E)-7,8-dimethylnona-4,6-dien-2-ol
CID 142105657
5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
CID 157146247
4-(3-hydroxybutylidene)-2-methylpent-2-enedioic acid
CID 57152148
2-methyl-12-oxododeca-2,4-dienoic acid
CID 123165729
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
2-methyldeca-2,4,6-trienoic acid
CID 54490128
ethyl (2E,4E)-2,7-dimethylocta-2,4-dienoate
CID 88840952
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
CID 156581219

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methylocta-2,4-dienoic acid?
The IUPAC name of 7-hydroxy-2-methylocta-2,4-dienoic acid (CID 154067734) is 7-hydroxy-2-methylocta-2,4-dienoic acid.
What is the SMILES notation for 7-hydroxy-2-methylocta-2,4-dienoic acid?
The canonical SMILES for 7-hydroxy-2-methylocta-2,4-dienoic acid is CC(=CC=CCC(C)O)C(=O)O.
What is the InChIKey of 7-hydroxy-2-methylocta-2,4-dienoic acid?
The InChIKey is AURWNFSYBLNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(9(11)12)5-3-4-6-8(2)10/h3-5,8,10H,6H2,1-2H3,(H,11,12).
What are the key properties of 7-hydroxy-2-methylocta-2,4-dienoic acid?
7-hydroxy-2-methylocta-2,4-dienoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methylocta-2,4-dienoic acid is sourced from PubChem (CID 154067734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).