tetradeca-4,6-dien-8,10,12-triyn-1-ol

C14H14O — CID 71353587

IUPACtetradeca-4,6-dien-8,10,12-triyn-1-ol
SMILESCC#CC#CC#CC=CC=CCCCO
InChIInChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3
InChIKeyWWKACWAQDXLZAV-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About tetradeca-4,6-dien-8,10,12-triyn-1-ol

tetradeca-4,6-dien-8,10,12-triyn-1-ol (PubChem CID 71353587) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is tetradeca-4,6-dien-8,10,12-triyn-1-ol.

Molecular Properties

Compound Nametetradeca-4,6-dien-8,10,12-triyn-1-ol
PubChem CID71353587
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Nametetradeca-4,6-dien-8,10,12-triyn-1-ol
SMILESCC#CC#CC#CC=CC=CCCCO
InChIInChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3
InChIKeyWWKACWAQDXLZAV-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The IUPAC name of tetradeca-4,6-dien-8,10,12-triyn-1-ol (CID 71353587) is tetradeca-4,6-dien-8,10,12-triyn-1-ol.
What is the SMILES notation for tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The canonical SMILES for tetradeca-4,6-dien-8,10,12-triyn-1-ol is CC#CC#CC#CC=CC=CCCCO.
What is the InChIKey of tetradeca-4,6-dien-8,10,12-triyn-1-ol?
The InChIKey is WWKACWAQDXLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h8-11,15H,12-14H2,1H3.
What are the key properties of tetradeca-4,6-dien-8,10,12-triyn-1-ol?
tetradeca-4,6-dien-8,10,12-triyn-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-4,6-dien-8,10,12-triyn-1-ol is sourced from PubChem (CID 71353587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).