tetradeca-4,6,12-trien-8,10-diyn-1-ol

C14H16O — CID 71354562

IUPACtetradeca-4,6,12-trien-8,10-diyn-1-ol
SMILESCC=CC#CC#CC=CC=CCCCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3
InChIKeyGSSKPCSIHXCRCA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.45
Rot. Bonds4

About tetradeca-4,6,12-trien-8,10-diyn-1-ol

tetradeca-4,6,12-trien-8,10-diyn-1-ol (PubChem CID 71354562) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is tetradeca-4,6,12-trien-8,10-diyn-1-ol.

Molecular Properties

Compound Nametetradeca-4,6,12-trien-8,10-diyn-1-ol
PubChem CID71354562
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Nametetradeca-4,6,12-trien-8,10-diyn-1-ol
SMILESCC=CC#CC#CC=CC=CCCCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3
InChIKeyGSSKPCSIHXCRCA-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.45
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-4,6,12-trien-8,10-diyn-1-ol?
The IUPAC name of tetradeca-4,6,12-trien-8,10-diyn-1-ol (CID 71354562) is tetradeca-4,6,12-trien-8,10-diyn-1-ol.
What is the SMILES notation for tetradeca-4,6,12-trien-8,10-diyn-1-ol?
The canonical SMILES for tetradeca-4,6,12-trien-8,10-diyn-1-ol is CC=CC#CC#CC=CC=CCCCO.
What is the InChIKey of tetradeca-4,6,12-trien-8,10-diyn-1-ol?
The InChIKey is GSSKPCSIHXCRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,8-11,15H,12-14H2,1H3.
What are the key properties of tetradeca-4,6,12-trien-8,10-diyn-1-ol?
tetradeca-4,6,12-trien-8,10-diyn-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-4,6,12-trien-8,10-diyn-1-ol is sourced from PubChem (CID 71354562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).