(2E,4E)-7-methylundeca-2,4-dienoic acid

C12H20O2 — CID 19761491

IUPAC(2E,4E)-7-methylundeca-2,4-dienoic acid
SMILESCCCCC(C)C/C=C/C=C/C(=O)O
InChIInChI=1S/C12H20O2/c1-3-4-8-11(2)9-6-5-7-10-12(13)14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,13,14)/b6-5+,10-7+
InChIKeyGDMREOXTOGOIMM-WEYXYWBQSA-N
MW196.29 g/mol
LogP3.40
Rot. Bonds7

About (2E,4E)-7-methylundeca-2,4-dienoic acid

(2E,4E)-7-methylundeca-2,4-dienoic acid (PubChem CID 19761491) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E,4E)-7-methylundeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-7-methylundeca-2,4-dienoic acid
PubChem CID19761491
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2E,4E)-7-methylundeca-2,4-dienoic acid
SMILESCCCCC(C)C/C=C/C=C/C(=O)O
InChIInChI=1S/C12H20O2/c1-3-4-8-11(2)9-6-5-7-10-12(13)14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,13,14)/b6-5+,10-7+
InChIKeyGDMREOXTOGOIMM-WEYXYWBQSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-methylundec-2-enoic acid
CID 155211364
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
8-methyldeca-2,4-dienoic acid
CID 154133307
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
CID 88513296
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-methylundeca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-7-methylundeca-2,4-dienoic acid (CID 19761491) is (2E,4E)-7-methylundeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-7-methylundeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-7-methylundeca-2,4-dienoic acid is CCCCC(C)C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-7-methylundeca-2,4-dienoic acid?
The InChIKey is GDMREOXTOGOIMM-WEYXYWBQSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-8-11(2)9-6-5-7-10-12(13)14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,13,14)/b6-5+,10-7+.
What are the key properties of (2E,4E)-7-methylundeca-2,4-dienoic acid?
(2E,4E)-7-methylundeca-2,4-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-methylundeca-2,4-dienoic acid is sourced from PubChem (CID 19761491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).