tetradeca-6,8,13-trien-5-one

C14H22O — CID 141346589

IUPACtetradeca-6,8,13-trien-5-one
SMILESC=CCCCC=CC=CC(=O)CCCC
InChIInChI=1S/C14H22O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h3,9-11,13H,1,4-8,12H2,2H3
InChIKeyGMATZHVTLXJGJC-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds9

About tetradeca-6,8,13-trien-5-one

tetradeca-6,8,13-trien-5-one (PubChem CID 141346589) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is tetradeca-6,8,13-trien-5-one.

Molecular Properties

Compound Nametetradeca-6,8,13-trien-5-one
PubChem CID141346589
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nametetradeca-6,8,13-trien-5-one
SMILESC=CCCCC=CC=CC(=O)CCCC
InChIInChI=1S/C14H22O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h3,9-11,13H,1,4-8,12H2,2H3
InChIKeyGMATZHVTLXJGJC-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetradeca-6,8,13-trien-5-one?
The IUPAC name of tetradeca-6,8,13-trien-5-one (CID 141346589) is tetradeca-6,8,13-trien-5-one.
What is the SMILES notation for tetradeca-6,8,13-trien-5-one?
The canonical SMILES for tetradeca-6,8,13-trien-5-one is C=CCCCC=CC=CC(=O)CCCC.
What is the InChIKey of tetradeca-6,8,13-trien-5-one?
The InChIKey is GMATZHVTLXJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h3,9-11,13H,1,4-8,12H2,2H3.
What are the key properties of tetradeca-6,8,13-trien-5-one?
tetradeca-6,8,13-trien-5-one has a molecular weight of 206.33 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-6,8,13-trien-5-one is sourced from PubChem (CID 141346589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).