5,9-dimethyldeca-4,8-dienoic acid

C12H20O2 — CID 3016190

IUPAC5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CCCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)
InChIKeyHPOYZGTYWKRTPU-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds6

About 5,9-dimethyldeca-4,8-dienoic acid

5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 3016190) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name5,9-dimethyldeca-4,8-dienoic acid
PubChem CID3016190
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CCCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)
InChIKeyHPOYZGTYWKRTPU-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 5,9-dimethyldeca-4,8-dienoic acid (CID 3016190) is 5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCCC(C)=CCCC(=O)O.
What is the InChIKey of 5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is HPOYZGTYWKRTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14).
What are the key properties of 5,9-dimethyldeca-4,8-dienoic acid?
5,9-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 5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 3016190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).