trideca-9,11-dienoic acid

C13H22O2 — CID 56613919

IUPACtrideca-9,11-dienoic acid
SMILESCC=CC=CCCCCCCCC(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-5H,6-12H2,1H3,(H,14,15)
InChIKeyXDYQHHRSMMIFSU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.93
Rot. Bonds9

About trideca-9,11-dienoic acid

trideca-9,11-dienoic acid (PubChem CID 56613919) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is trideca-9,11-dienoic acid.

Molecular Properties

Compound Nametrideca-9,11-dienoic acid
PubChem CID56613919
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nametrideca-9,11-dienoic acid
SMILESCC=CC=CCCCCCCCC(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-5H,6-12H2,1H3,(H,14,15)
InChIKeyXDYQHHRSMMIFSU-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.93
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

(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328
(5E,7E)-nona-5,7-dienoic acid
CID 5312593
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
dodeca-7,9-dienoic acid
CID 78383934
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(11E)-trideca-9,11-dien-2-one
CID 161147257
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
(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

Frequently Asked Questions

What is the IUPAC name of trideca-9,11-dienoic acid?
The IUPAC name of trideca-9,11-dienoic acid (CID 56613919) is trideca-9,11-dienoic acid.
What is the SMILES notation for trideca-9,11-dienoic acid?
The canonical SMILES for trideca-9,11-dienoic acid is CC=CC=CCCCCCCCC(=O)O.
What is the InChIKey of trideca-9,11-dienoic acid?
The InChIKey is XDYQHHRSMMIFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-5H,6-12H2,1H3,(H,14,15).
What are the key properties of trideca-9,11-dienoic acid?
trideca-9,11-dienoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-9,11-dienoic acid is sourced from PubChem (CID 56613919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).