(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol

C13H10O2 — CID 5281147

IUPAC(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol
SMILESC/C=C/C#CC#CC#CC#C[C@@H](O)CO
InChIInChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1
InChIKeyCZFQZIRMRQWYEB-YWVDXFKGSA-N
MW198.22 g/mol
LogP-0.07
Rot. Bonds1

About (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol

(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol (PubChem CID 5281147) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol.

Molecular Properties

Compound Name(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol
PubChem CID5281147
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol
SMILESC/C=C/C#CC#CC#CC#C[C@@H](O)CO
InChIInChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1
InChIKeyCZFQZIRMRQWYEB-YWVDXFKGSA-N
XLogP-0.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.07
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 (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol?
The IUPAC name of (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol (CID 5281147) is (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol.
What is the SMILES notation for (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol?
The canonical SMILES for (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol is C/C=C/C#CC#CC#CC#C[C@@H](O)CO.
What is the InChIKey of (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol?
The InChIKey is CZFQZIRMRQWYEB-YWVDXFKGSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1.
What are the key properties of (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol?
(E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol is sourced from PubChem (CID 5281147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).