(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid

C12H20O3 — CID 5312748

IUPAC(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
SMILESO=C(O)C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
InChIKeyBSWDOBLGMLCOJP-NGNAIVRQSA-N
MW212.29 g/mol
LogP2.52
Rot. Bonds9

About (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid

(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid (PubChem CID 5312748) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid.

Molecular Properties

Compound Name(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
PubChem CID5312748
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
SMILESO=C(O)C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
InChIKeyBSWDOBLGMLCOJP-NGNAIVRQSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
octadeca-3,6,9-trienedioic acid
CID 54105709
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
20-hydroxyicosa-2,5-dienoic acid
CID 91232457
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
10-aminodeca-3,6-dienoic acid
CID 123700269

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid?
The IUPAC name of (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid (CID 5312748) is (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid.
What is the SMILES notation for (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid?
The canonical SMILES for (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid is O=C(O)C/C=C\C/C=C\CCCCCO.
What is the InChIKey of (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid?
The InChIKey is BSWDOBLGMLCOJP-NGNAIVRQSA-N. The full InChI is InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-.
What are the key properties of (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid?
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid is sourced from PubChem (CID 5312748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).