(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol

C13H22O2 — CID 10846135

IUPAC(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
SMILESCCCCCC(O)/C=C/C=C/C=C/CO
InChIInChI=1S/C13H22O2/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h4-6,8-9,11,13-15H,2-3,7,10,12H2,1H3/b5-4+,9-6+,11-8+
InChIKeyZUYWNIJWPDTHNS-HQXGWRNMSA-N
MW210.32 g/mol
LogP2.59
Rot. Bonds8

About (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol

(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol (PubChem CID 10846135) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol.

Molecular Properties

Compound Name(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
PubChem CID10846135
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
SMILESCCCCCC(O)/C=C/C=C/C=C/CO
InChIInChI=1S/C13H22O2/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h4-6,8-9,11,13-15H,2-3,7,10,12H2,1H3/b5-4+,9-6+,11-8+
InChIKeyZUYWNIJWPDTHNS-HQXGWRNMSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095
heptadeca-9,11,14-trien-8-ol
CID 165117059
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(4S)-4-hydroxynon-2-enal
CID 173082436
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
4-hydroxyoctadec-2-enal
CID 3025772
4-hydroxynonadec-2-enal
CID 3025773
(E)-4-hydroxydec-2-enal
CID 6439956
(3R,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 87523165
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol?
The IUPAC name of (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol (CID 10846135) is (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol.
What is the SMILES notation for (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol?
The canonical SMILES for (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol is CCCCCC(O)/C=C/C=C/C=C/CO.
What is the InChIKey of (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol?
The InChIKey is ZUYWNIJWPDTHNS-HQXGWRNMSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h4-6,8-9,11,13-15H,2-3,7,10,12H2,1H3/b5-4+,9-6+,11-8+.
What are the key properties of (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol?
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol has a molecular weight of 210.32 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-trideca-2,4,6-triene-1,8-diol is sourced from PubChem (CID 10846135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).