[(E)-9-oxotetradec-7-en-6-yl] acetate

C16H28O3 — CID 16724279

IUPAC[(E)-9-oxotetradec-7-en-6-yl] acetate
SMILESCCCCCC(=O)/C=C/C(CCCCC)OC(C)=O
InChIInChI=1S/C16H28O3/c1-4-6-8-10-15(18)12-13-16(19-14(3)17)11-9-7-5-2/h12-13,16H,4-11H2,1-3H3/b13-12+
InChIKeyFPEXUICNIDODLJ-OUKQBFOZSA-N
MW268.40 g/mol
LogP4.20
Rot. Bonds11

About [(E)-9-oxotetradec-7-en-6-yl] acetate

[(E)-9-oxotetradec-7-en-6-yl] acetate (PubChem CID 16724279) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is [(E)-9-oxotetradec-7-en-6-yl] acetate.

Molecular Properties

Compound Name[(E)-9-oxotetradec-7-en-6-yl] acetate
PubChem CID16724279
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name[(E)-9-oxotetradec-7-en-6-yl] acetate
SMILESCCCCCC(=O)/C=C/C(CCCCC)OC(C)=O
InChIInChI=1S/C16H28O3/c1-4-6-8-10-15(18)12-13-16(19-14(3)17)11-9-7-5-2/h12-13,16H,4-11H2,1-3H3/b13-12+
InChIKeyFPEXUICNIDODLJ-OUKQBFOZSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
2-Hexenyl hexanoate, (2E)-
CID 5352973
Massoia Lactone
CID 642793
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914
12(13)Ep-9-KODE
CID 5283007
9,10-Epoxy-13-oxo-11-octadecenoic acid
CID 5283017
Tuberatolide A
CID 50993673
Muricadienin
CID 101949818
(8R,16R)-(-)-pyrenophorin
CID 11109605
(3Z,11Z)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
CID 6438429
16-Oxosarcoglaucol Acetate
CID 11384096

Frequently Asked Questions

What is the IUPAC name of [(E)-9-oxotetradec-7-en-6-yl] acetate?
The IUPAC name of [(E)-9-oxotetradec-7-en-6-yl] acetate (CID 16724279) is [(E)-9-oxotetradec-7-en-6-yl] acetate.
What is the SMILES notation for [(E)-9-oxotetradec-7-en-6-yl] acetate?
The canonical SMILES for [(E)-9-oxotetradec-7-en-6-yl] acetate is CCCCCC(=O)/C=C/C(CCCCC)OC(C)=O.
What is the InChIKey of [(E)-9-oxotetradec-7-en-6-yl] acetate?
The InChIKey is FPEXUICNIDODLJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-6-8-10-15(18)12-13-16(19-14(3)17)11-9-7-5-2/h12-13,16H,4-11H2,1-3H3/b13-12+.
What are the key properties of [(E)-9-oxotetradec-7-en-6-yl] acetate?
[(E)-9-oxotetradec-7-en-6-yl] acetate has a molecular weight of 268.40 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-9-oxotetradec-7-en-6-yl] acetate is sourced from PubChem (CID 16724279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).