1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one

C14H16O2 — CID 163007027

IUPAC1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one
SMILESCC=CC#CC#CC=CCCC(=O)CCO
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h2-3,8-9,15H,10-13H2,1H3
InChIKeyYNQGTNZWBMDNRZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.86
Rot. Bonds5

About 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one

1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one (PubChem CID 163007027) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one.

Molecular Properties

Compound Name1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one
PubChem CID163007027
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one
SMILESCC=CC#CC#CC=CCCC(=O)CCO
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h2-3,8-9,15H,10-13H2,1H3
InChIKeyYNQGTNZWBMDNRZ-UHFFFAOYSA-N
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one?
The IUPAC name of 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one (CID 163007027) is 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one.
What is the SMILES notation for 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one?
The canonical SMILES for 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one is CC=CC#CC#CC=CCCC(=O)CCO.
What is the InChIKey of 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one?
The InChIKey is YNQGTNZWBMDNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h2-3,8-9,15H,10-13H2,1H3.
What are the key properties of 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one?
1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one has a molecular weight of 216.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxytetradeca-6,12-dien-8,10-diyn-3-one is sourced from PubChem (CID 163007027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).