trideca-4,6,10,12-tetraene-2,8-diol

C13H20O2 — CID 71348025

IUPACtrideca-4,6,10,12-tetraene-2,8-diol
SMILESC=CC=CCC(O)C=CC=CCC(C)O
InChIInChI=1S/C13H20O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-8,11-15H,1,9-10H2,2H3
InChIKeyQPSDEVHCBILQEK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.36
Rot. Bonds7

About trideca-4,6,10,12-tetraene-2,8-diol

trideca-4,6,10,12-tetraene-2,8-diol (PubChem CID 71348025) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is trideca-4,6,10,12-tetraene-2,8-diol.

Molecular Properties

Compound Nametrideca-4,6,10,12-tetraene-2,8-diol
PubChem CID71348025
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nametrideca-4,6,10,12-tetraene-2,8-diol
SMILESC=CC=CCC(O)C=CC=CCC(C)O
InChIInChI=1S/C13H20O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-8,11-15H,1,9-10H2,2H3
InChIKeyQPSDEVHCBILQEK-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideca-4,6,10,12-tetraene-2,8-diol?
The IUPAC name of trideca-4,6,10,12-tetraene-2,8-diol (CID 71348025) is trideca-4,6,10,12-tetraene-2,8-diol.
What is the SMILES notation for trideca-4,6,10,12-tetraene-2,8-diol?
The canonical SMILES for trideca-4,6,10,12-tetraene-2,8-diol is C=CC=CCC(O)C=CC=CCC(C)O.
What is the InChIKey of trideca-4,6,10,12-tetraene-2,8-diol?
The InChIKey is QPSDEVHCBILQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-8,11-15H,1,9-10H2,2H3.
What are the key properties of trideca-4,6,10,12-tetraene-2,8-diol?
trideca-4,6,10,12-tetraene-2,8-diol has a molecular weight of 208.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-4,6,10,12-tetraene-2,8-diol is sourced from PubChem (CID 71348025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).