trideca-2,10,12-trien-4,6,8-triyn-1-ol

C13H10O — CID 71357358

IUPACtrideca-2,10,12-trien-4,6,8-triyn-1-ol
SMILESC=CC=CC#CC#CC#CC=CCO
InChIInChI=1S/C13H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,11-12,14H,1,13H2
InChIKeyOHERCADPJNOCBH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds2

About trideca-2,10,12-trien-4,6,8-triyn-1-ol

trideca-2,10,12-trien-4,6,8-triyn-1-ol (PubChem CID 71357358) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is trideca-2,10,12-trien-4,6,8-triyn-1-ol.

Molecular Properties

Compound Nametrideca-2,10,12-trien-4,6,8-triyn-1-ol
PubChem CID71357358
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Nametrideca-2,10,12-trien-4,6,8-triyn-1-ol
SMILESC=CC=CC#CC#CC#CC=CCO
InChIInChI=1S/C13H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,11-12,14H,1,13H2
InChIKeyOHERCADPJNOCBH-UHFFFAOYSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideca-2,10,12-trien-4,6,8-triyn-1-ol?
The IUPAC name of trideca-2,10,12-trien-4,6,8-triyn-1-ol (CID 71357358) is trideca-2,10,12-trien-4,6,8-triyn-1-ol.
What is the SMILES notation for trideca-2,10,12-trien-4,6,8-triyn-1-ol?
The canonical SMILES for trideca-2,10,12-trien-4,6,8-triyn-1-ol is C=CC=CC#CC#CC#CC=CCO.
What is the InChIKey of trideca-2,10,12-trien-4,6,8-triyn-1-ol?
The InChIKey is OHERCADPJNOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,11-12,14H,1,13H2.
What are the key properties of trideca-2,10,12-trien-4,6,8-triyn-1-ol?
trideca-2,10,12-trien-4,6,8-triyn-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,10,12-trien-4,6,8-triyn-1-ol is sourced from PubChem (CID 71357358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).