(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid

C12H14O2 — CID 5312395

IUPAC(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
SMILESC=C/C=C/C=C/C=C/C=C/CC(=O)O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+
InChIKeyJSPNCMDQJNUPED-BYFNFPHLSA-N
MW190.24 g/mol
LogP2.87
Rot. Bonds6

About (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid

(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid (PubChem CID 5312395) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid.

Molecular Properties

Compound Name(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
PubChem CID5312395
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
SMILESC=C/C=C/C=C/C=C/C=C/CC(=O)O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+
InChIKeyJSPNCMDQJNUPED-BYFNFPHLSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.87
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

(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
(13E,15E)-octadeca-13,15,17-trienoic acid
CID 87408456
2-ethylidenenona-4,6,8-trienamide
CID 141190387
buta-1,3-diene;(E)-pent-3-enoic acid
CID 140509123
dodeca-3,5,7-trienoic acid
CID 151654337
7-oxotetradeca-9,11,13-trienal
CID 162716798
deca-3,5-dienoic acid
CID 54113782
6-acetyloxyhexa-3,5-dienoic acid
CID 173426728
sodium hexa-3,5-dienoate
CID 74086378
(3E)-octa-3,7-dienoic acid
CID 12688314
octa-3,7-dienoic acid
CID 71318533

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid?
The IUPAC name of (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid (CID 5312395) is (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid.
What is the SMILES notation for (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid?
The canonical SMILES for (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid is C=C/C=C/C=C/C=C/C=C/CC(=O)O.
What is the InChIKey of (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid?
The InChIKey is JSPNCMDQJNUPED-BYFNFPHLSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+.
What are the key properties of (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid?
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid is sourced from PubChem (CID 5312395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).