(4E)-4,9-dimethyldeca-4,8-dienoic acid

C12H20O2 — CID 59960762

IUPAC(4E)-4,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C=C(\C)CCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-5-7-11(3)8-9-12(13)14/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)/b11-7+
InChIKeyKWMBRBNDXMDEFP-YRNVUSSQSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds6

About (4E)-4,9-dimethyldeca-4,8-dienoic acid

(4E)-4,9-dimethyldeca-4,8-dienoic acid (PubChem CID 59960762) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4E)-4,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-4,9-dimethyldeca-4,8-dienoic acid
PubChem CID59960762
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4E)-4,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C=C(\C)CCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-5-7-11(3)8-9-12(13)14/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)/b11-7+
InChIKeyKWMBRBNDXMDEFP-YRNVUSSQSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Arachidonic Acid
CID 444899
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Citronellic acid
CID 10402
Stearidonic Acid
CID 5312508
Eicosapentaenoic Acid
CID 5282847
cis-5-Dodecenoic acid
CID 5312378
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
2-propyl-2-pentenoic acid, (E)-
CID 6437068
cis-5-Tetradecenoic acid
CID 5312400
4-Decenoic Acid
CID 93732
Pinolenic acid
CID 5312495

Frequently Asked Questions

What is the IUPAC name of (4E)-4,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4E)-4,9-dimethyldeca-4,8-dienoic acid (CID 59960762) is (4E)-4,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4E)-4,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4E)-4,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCC/C=C(\C)CCC(=O)O.
What is the InChIKey of (4E)-4,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is KWMBRBNDXMDEFP-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)6-4-5-7-11(3)8-9-12(13)14/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)/b11-7+.
What are the key properties of (4E)-4,9-dimethyldeca-4,8-dienoic acid?
(4E)-4,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 59960762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).