4,5,9-trimethyldeca-3,8-dienoic acid

C13H22O2 — CID 175438930

IUPAC4,5,9-trimethyldeca-3,8-dienoic acid
SMILESCC(C)=CCCC(C)C(C)=CCC(=O)O
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)12(4)8-9-13(14)15/h6,8,11H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyWJKHPLKYLPEARN-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.79
Rot. Bonds6

About 4,5,9-trimethyldeca-3,8-dienoic acid

4,5,9-trimethyldeca-3,8-dienoic acid (PubChem CID 175438930) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,5,9-trimethyldeca-3,8-dienoic acid.

Molecular Properties

Compound Name4,5,9-trimethyldeca-3,8-dienoic acid
PubChem CID175438930
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,5,9-trimethyldeca-3,8-dienoic acid
SMILESCC(C)=CCCC(C)C(C)=CCC(=O)O
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)12(4)8-9-13(14)15/h6,8,11H,5,7,9H2,1-4H3,(H,14,15)
InChIKeyWJKHPLKYLPEARN-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3,7-dimethyloct-6-en-2-one
CID 15409470
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
(3R)-3-hydroxy-7-methyloct-6-enoic acid
CID 14333599
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839
(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
CID 11312339
2,6,10-trimethyl-5-oxoundec-9-enal
CID 101143441
2,6-dimethylhept-5-enal
CID 158364508
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
S-(6-methylhept-5-en-2-yl) ethanethioate
CID 10559479
2,3-dihydroxy-7-methyloct-6-enoic acid
CID 142634036
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437

Frequently Asked Questions

What is the IUPAC name of 4,5,9-trimethyldeca-3,8-dienoic acid?
The IUPAC name of 4,5,9-trimethyldeca-3,8-dienoic acid (CID 175438930) is 4,5,9-trimethyldeca-3,8-dienoic acid.
What is the SMILES notation for 4,5,9-trimethyldeca-3,8-dienoic acid?
The canonical SMILES for 4,5,9-trimethyldeca-3,8-dienoic acid is CC(C)=CCCC(C)C(C)=CCC(=O)O.
What is the InChIKey of 4,5,9-trimethyldeca-3,8-dienoic acid?
The InChIKey is WJKHPLKYLPEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)12(4)8-9-13(14)15/h6,8,11H,5,7,9H2,1-4H3,(H,14,15).
What are the key properties of 4,5,9-trimethyldeca-3,8-dienoic acid?
4,5,9-trimethyldeca-3,8-dienoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9-trimethyldeca-3,8-dienoic acid is sourced from PubChem (CID 175438930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).