(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid

C12H20O5 — CID 6443510

IUPAC(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/CCC(O)CC(O)CCO
InChIInChI=1S/C12H20O5/c13-8-7-11(15)9-10(14)5-3-1-2-4-6-12(16)17/h1-2,4,6,10-11,13-15H,3,5,7-9H2,(H,16,17)/b2-1+,6-4+
InChIKeyILXMCVVGRWTBIT-ZMVSMXTFSA-N
MW244.29 g/mol
LogP0.46
Rot. Bonds9

About (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid

(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid (PubChem CID 6443510) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid
PubChem CID6443510
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/CCC(O)CC(O)CCO
InChIInChI=1S/C12H20O5/c13-8-7-11(15)9-10(14)5-3-1-2-4-6-12(16)17/h1-2,4,6,10-11,13-15H,3,5,7-9H2,(H,16,17)/b2-1+,6-4+
InChIKeyILXMCVVGRWTBIT-ZMVSMXTFSA-N
XLogP0.46
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-dec-8-ene-1,3,5-triol
CID 57253187
8-methyldeca-2,4-dienoic acid
CID 154133307
(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
CID 25016840
19-methylicosa-2,4-dienoic acid
CID 170315585
20-methylhenicosa-2,4-dienoic acid
CID 118268246
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054
(2E,4E,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297
(2E,4E)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid?
The IUPAC name of (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid (CID 6443510) is (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid is O=C(O)/C=C/C=C/CCC(O)CC(O)CCO.
What is the InChIKey of (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid?
The InChIKey is ILXMCVVGRWTBIT-ZMVSMXTFSA-N. The full InChI is InChI=1S/C12H20O5/c13-8-7-11(15)9-10(14)5-3-1-2-4-6-12(16)17/h1-2,4,6,10-11,13-15H,3,5,7-9H2,(H,16,17)/b2-1+,6-4+.
What are the key properties of (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid?
(2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.46, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid is sourced from PubChem (CID 6443510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).