[(E)-dec-2-en-4-yl] acetate

C12H22O2 — CID 13351016

IUPAC[(E)-dec-2-en-4-yl] acetate
SMILESC/C=C/C(CCCCCC)OC(C)=O
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-12(9-5-2)14-11(3)13/h5,9,12H,4,6-8,10H2,1-3H3/b9-5+
InChIKeyPDSJTAAMRGJAFZ-WEVVVXLNSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds7

About [(E)-dec-2-en-4-yl] acetate

[(E)-dec-2-en-4-yl] acetate (PubChem CID 13351016) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(E)-dec-2-en-4-yl] acetate.

Molecular Properties

Compound Name[(E)-dec-2-en-4-yl] acetate
PubChem CID13351016
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(E)-dec-2-en-4-yl] acetate
SMILESC/C=C/C(CCCCCC)OC(C)=O
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-12(9-5-2)14-11(3)13/h5,9,12H,4,6-8,10H2,1-3H3/b9-5+
InChIKeyPDSJTAAMRGJAFZ-WEVVVXLNSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-oxoundec-3-en-5-yl] acetate
CID 15656036
dodeca-1,3-dien-5-yl acetate
CID 90996679
undec-1-en-3-yl acetate
CID 3023472
[(E,6R,9S,10S)-9,10-dihydroxypentadec-7-en-6-yl] acetate
CID 102277026
1-acetyloxytetradecyl acetate
CID 88785738
(15R)-15-acetyloxynonadec-13-ene-1-sulfonic acid
CID 173208694
1-hydroxytetradecyl acetate
CID 6365614
pentacosan-2-yl acetate
CID 173416941
1-acetyloxydecyl heptanoate
CID 87914473
[(3S)-nonan-3-yl] acetate
CID 76967958
1-iododecyl acetate
CID 155063034
[(E,3S)-1-[(1R,2R)-2-hydroxy-4-oxocyclopentyl]oct-1-en-3-yl] acetate
CID 69251940

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-2-en-4-yl] acetate?
The IUPAC name of [(E)-dec-2-en-4-yl] acetate (CID 13351016) is [(E)-dec-2-en-4-yl] acetate.
What is the SMILES notation for [(E)-dec-2-en-4-yl] acetate?
The canonical SMILES for [(E)-dec-2-en-4-yl] acetate is C/C=C/C(CCCCCC)OC(C)=O.
What is the InChIKey of [(E)-dec-2-en-4-yl] acetate?
The InChIKey is PDSJTAAMRGJAFZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-7-8-10-12(9-5-2)14-11(3)13/h5,9,12H,4,6-8,10H2,1-3H3/b9-5+.
What are the key properties of [(E)-dec-2-en-4-yl] acetate?
[(E)-dec-2-en-4-yl] acetate has a molecular weight of 198.31 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-2-en-4-yl] acetate is sourced from PubChem (CID 13351016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).