(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

C13H12O2 — CID 6442707

IUPAC(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
SMILESC/C=C/C#CC#CC#C/C=C/[C@@H](O)CO
InChIInChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1
InChIKeyGVCJUCQUVWZELI-DXFRQSKKSA-N
MW200.24 g/mol
LogP0.48
Rot. Bonds2

About (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol (PubChem CID 6442707) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol.

Molecular Properties

Compound Name(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
PubChem CID6442707
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
SMILESC/C=C/C#CC#CC#C/C=C/[C@@H](O)CO
InChIInChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1
InChIKeyGVCJUCQUVWZELI-DXFRQSKKSA-N
XLogP0.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The IUPAC name of (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol (CID 6442707) is (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol.
What is the SMILES notation for (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The canonical SMILES for (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol is C/C=C/C#CC#CC#C/C=C/[C@@H](O)CO.
What is the InChIKey of (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The InChIKey is GVCJUCQUVWZELI-DXFRQSKKSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1.
What are the key properties of (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol is sourced from PubChem (CID 6442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).