dodeca-7,9-dienoic acid

C12H20O2 — CID 78383934

IUPACdodeca-7,9-dienoic acid
SMILESCCC=CC=CCCCCCC(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-6H,2,7-11H2,1H3,(H,13,14)
InChIKeyDAOYHEHYLCLGOY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds8

About dodeca-7,9-dienoic acid

dodeca-7,9-dienoic acid (PubChem CID 78383934) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is dodeca-7,9-dienoic acid.

Molecular Properties

Compound Namedodeca-7,9-dienoic acid
PubChem CID78383934
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namedodeca-7,9-dienoic acid
SMILESCCC=CC=CCCCCCC(=O)O
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-6H,2,7-11H2,1H3,(H,13,14)
InChIKeyDAOYHEHYLCLGOY-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
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

(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837
(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
CID 131769829
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
4-oxooctadeca-9,11,13,15-tetraenoic acid
CID 78383982
icosa-8,10,14-trienoic acid
CID 162425913
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736

Frequently Asked Questions

What is the IUPAC name of dodeca-7,9-dienoic acid?
The IUPAC name of dodeca-7,9-dienoic acid (CID 78383934) is dodeca-7,9-dienoic acid.
What is the SMILES notation for dodeca-7,9-dienoic acid?
The canonical SMILES for dodeca-7,9-dienoic acid is CCC=CC=CCCCCCC(=O)O.
What is the InChIKey of dodeca-7,9-dienoic acid?
The InChIKey is DAOYHEHYLCLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-6H,2,7-11H2,1H3,(H,13,14).
What are the key properties of dodeca-7,9-dienoic acid?
dodeca-7,9-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-7,9-dienoic acid is sourced from PubChem (CID 78383934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).