(2E,4E,8Z)-deca-2,4,8-trienoic acid

C10H14O2 — CID 87961054

IUPAC(2E,4E,8Z)-deca-2,4,8-trienoic acid
SMILESC/C=C\CC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12)/b3-2-,7-6+,9-8+
InChIKeyRZXRZPSIQCIUQY-FIKWSAPFSA-N
MW166.22 g/mol
LogP2.54
Rot. Bonds5

About (2E,4E,8Z)-deca-2,4,8-trienoic acid

(2E,4E,8Z)-deca-2,4,8-trienoic acid (PubChem CID 87961054) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2E,4E,8Z)-deca-2,4,8-trienoic acid.

Molecular Properties

Compound Name(2E,4E,8Z)-deca-2,4,8-trienoic acid
PubChem CID87961054
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2E,4E,8Z)-deca-2,4,8-trienoic acid
SMILESC/C=C\CC/C=C/C=C/C(=O)O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12)/b3-2-,7-6+,9-8+
InChIKeyRZXRZPSIQCIUQY-FIKWSAPFSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.54
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyldodeca-4,6,10-trien-3-one
CID 149435269
(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
CID 88513296
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
icosa-2,4,8-trienoic acid
CID 78383952
(10Z,13Z,16Z,19Z)-docosa-2,4,6,10,13,16,19-heptaenoic acid
CID 87987509
docosa-2,4,7,9,13,16,19-heptaenoic acid
CID 173077864
acetic acid;(E)-hex-2-ene
CID 174958018
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
triaconta-2,4-dienoic acid
CID 54201076

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-deca-2,4,8-trienoic acid?
The IUPAC name of (2E,4E,8Z)-deca-2,4,8-trienoic acid (CID 87961054) is (2E,4E,8Z)-deca-2,4,8-trienoic acid.
What is the SMILES notation for (2E,4E,8Z)-deca-2,4,8-trienoic acid?
The canonical SMILES for (2E,4E,8Z)-deca-2,4,8-trienoic acid is C/C=C\CC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,8Z)-deca-2,4,8-trienoic acid?
The InChIKey is RZXRZPSIQCIUQY-FIKWSAPFSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-9H,4-5H2,1H3,(H,11,12)/b3-2-,7-6+,9-8+.
What are the key properties of (2E,4E,8Z)-deca-2,4,8-trienoic acid?
(2E,4E,8Z)-deca-2,4,8-trienoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-deca-2,4,8-trienoic acid is sourced from PubChem (CID 87961054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).