2-ethyldeca-4,6,8-trienoic acid

C12H18O2 — CID 175025766

IUPAC2-ethyldeca-4,6,8-trienoic acid
SMILESCC=CC=CC=CCC(CC)C(=O)O
InChIInChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h3,5-9,11H,4,10H2,1-2H3,(H,13,14)
InChIKeyFIRBMAKPCNZGMC-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.18
Rot. Bonds6

About 2-ethyldeca-4,6,8-trienoic acid

2-ethyldeca-4,6,8-trienoic acid (PubChem CID 175025766) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-ethyldeca-4,6,8-trienoic acid.

Molecular Properties

Compound Name2-ethyldeca-4,6,8-trienoic acid
PubChem CID175025766
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-ethyldeca-4,6,8-trienoic acid
SMILESCC=CC=CC=CCC(CC)C(=O)O
InChIInChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h3,5-9,11H,4,10H2,1-2H3,(H,13,14)
InChIKeyFIRBMAKPCNZGMC-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.18
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

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CID 11579146
(Z)-2-propylhex-4-enoic acid
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(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid
CID 11854261
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
2-ethylnon-7-enoic acid
CID 143730555
(2R,4E,6E)-2-benzylocta-4,6-dienamide
CID 125467073
7-methylocta-2,4-diene
CID 519923
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2,7-diethyl-4-methyloct-4-enedioic acid
CID 71364358
2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
CID 101278080

Frequently Asked Questions

What is the IUPAC name of 2-ethyldeca-4,6,8-trienoic acid?
The IUPAC name of 2-ethyldeca-4,6,8-trienoic acid (CID 175025766) is 2-ethyldeca-4,6,8-trienoic acid.
What is the SMILES notation for 2-ethyldeca-4,6,8-trienoic acid?
The canonical SMILES for 2-ethyldeca-4,6,8-trienoic acid is CC=CC=CC=CCC(CC)C(=O)O.
What is the InChIKey of 2-ethyldeca-4,6,8-trienoic acid?
The InChIKey is FIRBMAKPCNZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h3,5-9,11H,4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyldeca-4,6,8-trienoic acid?
2-ethyldeca-4,6,8-trienoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyldeca-4,6,8-trienoic acid is sourced from PubChem (CID 175025766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).