dodeca-3,5,7-trienoic acid

C12H18O2 — CID 151654337

IUPACdodeca-3,5,7-trienoic acid
SMILESCCCCC=CC=CC=CCC(=O)O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-10H,2-4,11H2,1H3,(H,13,14)
InChIKeyQVDXSXSDAXADTJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.32
Rot. Bonds7

About dodeca-3,5,7-trienoic acid

dodeca-3,5,7-trienoic acid (PubChem CID 151654337) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is dodeca-3,5,7-trienoic acid.

Molecular Properties

Compound Namedodeca-3,5,7-trienoic acid
PubChem CID151654337
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namedodeca-3,5,7-trienoic acid
SMILESCCCCC=CC=CC=CCC(=O)O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-10H,2-4,11H2,1H3,(H,13,14)
InChIKeyQVDXSXSDAXADTJ-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

deca-3,5-dienoic acid
CID 54113782
pentadeca-3,5-dienoic acid
CID 91404982
octadeca-3,5-dienoic acid
CID 54573818
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(4E,6E,8E,10E,12E,17E)-docosa-4,6,8,10,12,17-hexaenoic acid
CID 153399699
docosa-4,8,10,12,16-pentaenoic acid
CID 91288840
(5Z,8Z,10Z,12E)-5,6-dihydroxyicosa-5,8,10,12-tetraenoic acid
CID 10449686
octadeca-2,11,13-trienoic acid
CID 173322272
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523

Frequently Asked Questions

What is the IUPAC name of dodeca-3,5,7-trienoic acid?
The IUPAC name of dodeca-3,5,7-trienoic acid (CID 151654337) is dodeca-3,5,7-trienoic acid.
What is the SMILES notation for dodeca-3,5,7-trienoic acid?
The canonical SMILES for dodeca-3,5,7-trienoic acid is CCCCC=CC=CC=CCC(=O)O.
What is the InChIKey of dodeca-3,5,7-trienoic acid?
The InChIKey is QVDXSXSDAXADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-10H,2-4,11H2,1H3,(H,13,14).
What are the key properties of dodeca-3,5,7-trienoic acid?
dodeca-3,5,7-trienoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-3,5,7-trienoic acid is sourced from PubChem (CID 151654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).