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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Related Compounds

(7E,9E)-tetradeca-7,9-dien-6-one
CID 102586643
14-oxodotriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646419
14-oxotritriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646403
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
nonacosa-1,7,9,21-tetraene
CID 175853197
(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
CID 6439587
(6E,8E,11Z,14E)-5-oxoicosa-6,8,11,14-tetraenoic acid
CID 124586147
(4E,6E,8E,10E)-octadeca-1,4,6,8,10-pentaen-3-one
CID 20847728
(6E,7E)-6-(methylaminomethylidene)trideca-7,12-dien-5-one
CID 143367342
non-3-ene-2,5-dione
CID 71327386
[(2S)-3-heptadecanoyloxy-2-hydroxypropyl] (10E,12Z)-9-oxooctadeca-10,12-dienoate
CID 157003817

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).