(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid

C12H20O2 — CID 11367593

IUPAC(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
SMILESCC[C@H](C)/C=C/C=C(\C)CCC(=O)O
InChIInChI=1S/C12H20O2/c1-4-10(2)6-5-7-11(3)8-9-12(13)14/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)/b6-5+,11-7+/t10-/m0/s1
InChIKeyKWKKEWWFMRITRA-NGOIHCBHSA-N
MW196.29 g/mol
LogP3.40
Rot. Bonds6

About (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid

(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid (PubChem CID 11367593) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
PubChem CID11367593
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
SMILESCC[C@H](C)/C=C/C=C(\C)CCC(=O)O
InChIInChI=1S/C12H20O2/c1-4-10(2)6-5-7-11(3)8-9-12(13)14/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)/b6-5+,11-7+/t10-/m0/s1
InChIKeyKWKKEWWFMRITRA-NGOIHCBHSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyloct-4-ene
CID 73165576
(E,5R)-5-methylhept-3-enoic acid
CID 11636814
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
CID 50993250
4-ethenyl-3,8-dimethyldeca-2,4,6-triene
CID 123413794
2-butan-2-yl-6-methylocta-2,4-dien-1-amine
CID 88882583
3-ethyl-7-methylundeca-4,6-diene
CID 123921813
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
(5S)-5-[(1R,4E,6R,8E,10E,12S)-1-hydroxy-6,8,12-trimethyltetradeca-2,4,8,10-tetraenyl]-5-methylfuran-2-one
CID 177484904
3,7,11-trimethyldodeca-4,6,10-trien-2-one
CID 91406530
3,7-dimethyldeca-1,4,6-triene
CID 123725882
5-methyl-4-oxoheptanoic acid
CID 21365481
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid?
The IUPAC name of (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid (CID 11367593) is (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid.
What is the SMILES notation for (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid?
The canonical SMILES for (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid is CC[C@H](C)/C=C/C=C(\C)CCC(=O)O.
What is the InChIKey of (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid?
The InChIKey is KWKKEWWFMRITRA-NGOIHCBHSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10(2)6-5-7-11(3)8-9-12(13)14/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)/b6-5+,11-7+/t10-/m0/s1.
What are the key properties of (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid?
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid is sourced from PubChem (CID 11367593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).