(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid

C15H26O2 — CID 151728816

IUPAC(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
SMILESCC(C)(C)CCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C15H26O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h6,8,10,12H,4-5,7,9,11,13H2,1-3H3,(H,16,17)/b8-6+,12-10+
InChIKeyRKDHAVITAQUZLL-VTKKNFPDSA-N
MW238.37 g/mol
LogP4.57
Rot. Bonds8

About (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid

(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid (PubChem CID 151728816) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
PubChem CID151728816
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
SMILESCC(C)(C)CCCCCC/C=C/C=C/C(=O)O
InChIInChI=1S/C15H26O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h6,8,10,12H,4-5,7,9,11,13H2,1-3H3,(H,16,17)/b8-6+,12-10+
InChIKeyRKDHAVITAQUZLL-VTKKNFPDSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

22,22,22-trihydroxydocosa-2,4,6,8,10-pentaenoic acid
CID 140712327
20,20,20-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 141495039
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
calcium;docosa-2,4,6,8,10,12-hexaenoic acid;hydride
CID 175071372
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479
tricosa-2,4,6,8-tetraenoic acid
CID 53406034
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid (CID 151728816) is (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid is CC(C)(C)CCCCCC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid?
The InChIKey is RKDHAVITAQUZLL-VTKKNFPDSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h6,8,10,12H,4-5,7,9,11,13H2,1-3H3,(H,16,17)/b8-6+,12-10+.
What are the key properties of (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid?
(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid is sourced from PubChem (CID 151728816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).