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

C13H12O2 — CID 131751993

IUPAC(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
SMILESC/C=C\C#CC#CC#C/C=C/C(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+
InChIKeyGVCJUCQUVWZELI-JSQGHLFOSA-N
MW200.24 g/mol
LogP0.48
Rot. Bonds2

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

(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol (PubChem CID 131751993) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol.

Molecular Properties

Compound Name(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
PubChem CID131751993
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
SMILESC/C=C\C#CC#CC#C/C=C/C(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+
InChIKeyGVCJUCQUVWZELI-JSQGHLFOSA-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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Related Compounds

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3,11-Tridecadiene-5,7,9-triyne-1,2-diol
CID 6123027
4,12-Tetradecadiene-8,10-diyne-1,6,7-triol
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CID 3036540
CID 3036540
(2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 5281155
(10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol
CID 6475018
2,6-Octadiene-4,5-diol
CID 5366238
1,5-Heptadiene-3,4-diol
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(E,2S,3R)-tridec-9-en-4,6-diyne-2,3,8-triol
CID 53317967
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CID 53317968

Frequently Asked Questions

What is the IUPAC name of (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The IUPAC name of (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol (CID 131751993) is (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol.
What is the SMILES notation for (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The canonical SMILES for (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol is C/C=C\C#CC#CC#C/C=C/C(O)CO.
What is the InChIKey of (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
The InChIKey is GVCJUCQUVWZELI-JSQGHLFOSA-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+.
What are the key properties of (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol?
(3E,11Z)-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 (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol is sourced from PubChem (CID 131751993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).