(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid

C11H18O3 — CID 15941345

IUPAC(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid
SMILESCC(C)=CCCC(C)(O)/C=C/C(=O)O
InChIInChI=1S/C11H18O3/c1-9(2)5-4-7-11(3,14)8-6-10(12)13/h5-6,8,14H,4,7H2,1-3H3,(H,12,13)/b8-6+
InChIKeyDANKQIKJOQYLRU-SOFGYWHQSA-N
MW198.26 g/mol
LogP2.12
Rot. Bonds5

About (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid

(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid (PubChem CID 15941345) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid.

Molecular Properties

Compound Name(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid
PubChem CID15941345
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid
SMILESCC(C)=CCCC(C)(O)/C=C/C(=O)O
InChIInChI=1S/C11H18O3/c1-9(2)5-4-7-11(3,14)8-6-10(12)13/h5-6,8,14H,4,7H2,1-3H3,(H,12,13)/b8-6+
InChIKeyDANKQIKJOQYLRU-SOFGYWHQSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,5E,9E)-5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 24011682
6-Hydroxy-2,6-dimethyl-2,7-Octadienoic acid
CID 6365350
(E)-2,4-Dimethyl-oct-2-enoic acid
CID 20842160
Menthiafolic acid, (S)-
CID 10845194
trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281995
cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281996
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
CID 46927917
(2E,5E,9E)-6,10,14-trimethylpentadeca-2,5,9,13-tetraenoic acid
CID 46230597
6-Hydroxy-2,6-dimethylocta-2,7-dienoic acid
CID 3015413
10-Hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
CID 86073347
(2E)-6-methylhept-2-enoic acid
CID 10374557
5,8,8-Trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895

Frequently Asked Questions

What is the IUPAC name of (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid?
The IUPAC name of (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid (CID 15941345) is (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid.
What is the SMILES notation for (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid?
The canonical SMILES for (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid is CC(C)=CCCC(C)(O)/C=C/C(=O)O.
What is the InChIKey of (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid?
The InChIKey is DANKQIKJOQYLRU-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)5-4-7-11(3,14)8-6-10(12)13/h5-6,8,14H,4,7H2,1-3H3,(H,12,13)/b8-6+.
What are the key properties of (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid?
(2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-hydroxy-4,8-dimethylnona-2,7-dienoic acid is sourced from PubChem (CID 15941345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).