(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol

C13H14O — CID 15558458

IUPAC(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol
SMILESCC/C=C/C=C/C#CC#C/C=C/CO
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,11-12,14H,2,13H2,1H3/b4-3+,6-5+,12-11+
InChIKeyYCXSBVALLBAGMY-JHHIBIJLSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds3

About (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol

(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol (PubChem CID 15558458) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol.

Molecular Properties

Compound Name(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol
PubChem CID15558458
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol
SMILESCC/C=C/C=C/C#CC#C/C=C/CO
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,11-12,14H,2,13H2,1H3/b4-3+,6-5+,12-11+
InChIKeyYCXSBVALLBAGMY-JHHIBIJLSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
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 (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol?
The IUPAC name of (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol (CID 15558458) is (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol.
What is the SMILES notation for (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol?
The canonical SMILES for (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol is CC/C=C/C=C/C#CC#C/C=C/CO.
What is the InChIKey of (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol?
The InChIKey is YCXSBVALLBAGMY-JHHIBIJLSA-N. The full InChI is InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,11-12,14H,2,13H2,1H3/b4-3+,6-5+,12-11+.
What are the key properties of (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol?
(2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10E)-trideca-2,8,10-trien-4,6-diyn-1-ol is sourced from PubChem (CID 15558458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).