trideca-9,12-dienoic acid

C13H22O2 — CID 140680246

IUPACtrideca-9,12-dienoic acid
SMILESC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2,4-5H,1,3,6-12H2,(H,14,15)
InChIKeyBHRFAKJULVDHID-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.93
Rot. Bonds10

About trideca-9,12-dienoic acid

trideca-9,12-dienoic acid (PubChem CID 140680246) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is trideca-9,12-dienoic acid.

Molecular Properties

Compound Nametrideca-9,12-dienoic acid
PubChem CID140680246
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nametrideca-9,12-dienoic acid
SMILESC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2,4-5H,1,3,6-12H2,(H,14,15)
InChIKeyBHRFAKJULVDHID-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
heptadeca-12,16-dienoic acid
CID 91393607
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
tetradeca-5,8-dienedioic acid
CID 54091580
(Z)-dodec-5-enedioic acid
CID 86751837
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(E)-pentadec-4-enedioic acid
CID 156873655
octadec-17-enoic acid
CID 5312444
(E)-octadec-4-enedioic acid
CID 166071490

Frequently Asked Questions

What is the IUPAC name of trideca-9,12-dienoic acid?
The IUPAC name of trideca-9,12-dienoic acid (CID 140680246) is trideca-9,12-dienoic acid.
What is the SMILES notation for trideca-9,12-dienoic acid?
The canonical SMILES for trideca-9,12-dienoic acid is C=CCC=CCCCCCCCC(=O)O.
What is the InChIKey of trideca-9,12-dienoic acid?
The InChIKey is BHRFAKJULVDHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2,4-5H,1,3,6-12H2,(H,14,15).
What are the key properties of trideca-9,12-dienoic acid?
trideca-9,12-dienoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-9,12-dienoic acid is sourced from PubChem (CID 140680246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).