(7E,9E)-tetradeca-7,9-dien-6-one

C14H24O — CID 102586643

IUPAC(7E,9E)-tetradeca-7,9-dien-6-one
SMILESCCCC/C=C/C=C/C(=O)CCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h8-9,11,13H,3-7,10,12H2,1-2H3/b9-8+,13-11+
InChIKeyPDGBFYDTRYFBHA-VKTMSVCMSA-N
MW208.34 g/mol
LogP4.44
Rot. Bonds9

About (7E,9E)-tetradeca-7,9-dien-6-one

(7E,9E)-tetradeca-7,9-dien-6-one (PubChem CID 102586643) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (7E,9E)-tetradeca-7,9-dien-6-one.

Molecular Properties

Compound Name(7E,9E)-tetradeca-7,9-dien-6-one
PubChem CID102586643
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(7E,9E)-tetradeca-7,9-dien-6-one
SMILESCCCC/C=C/C=C/C(=O)CCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h8-9,11,13H,3-7,10,12H2,1-2H3/b9-8+,13-11+
InChIKeyPDGBFYDTRYFBHA-VKTMSVCMSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-henicosa-7,9-diene-6,11-dione
CID 56936226
tetradeca-6,8,13-trien-5-one
CID 141346589
14-oxodotriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646419
14-oxotritriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646403
(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
CID 6439587
(E)-icos-11-en-10-one
CID 101359358
henicos-9-en-11-one
CID 3023243
(E)-henicos-9-en-11-one
CID 6366356
1-hydroxydeca-1,3-dien-5-one
CID 175523501
(Z)-hexadec-9-en-8-one
CID 134907163
[(2S)-3-heptadecanoyloxy-2-hydroxypropyl] (10E,12Z)-9-oxooctadeca-10,12-dienoate
CID 157003817
dodeca-2,4-dien-6-one
CID 71412707

Frequently Asked Questions

What is the IUPAC name of (7E,9E)-tetradeca-7,9-dien-6-one?
The IUPAC name of (7E,9E)-tetradeca-7,9-dien-6-one (CID 102586643) is (7E,9E)-tetradeca-7,9-dien-6-one.
What is the SMILES notation for (7E,9E)-tetradeca-7,9-dien-6-one?
The canonical SMILES for (7E,9E)-tetradeca-7,9-dien-6-one is CCCC/C=C/C=C/C(=O)CCCCC.
What is the InChIKey of (7E,9E)-tetradeca-7,9-dien-6-one?
The InChIKey is PDGBFYDTRYFBHA-VKTMSVCMSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h8-9,11,13H,3-7,10,12H2,1-2H3/b9-8+,13-11+.
What are the key properties of (7E,9E)-tetradeca-7,9-dien-6-one?
(7E,9E)-tetradeca-7,9-dien-6-one has a molecular weight of 208.34 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-tetradeca-7,9-dien-6-one is sourced from PubChem (CID 102586643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).