[(Z)-dec-5-enyl] acetate

C12H22O2 — CID 5363513

IUPAC[(Z)-dec-5-enyl] acetate
SMILESCCCC/C=C\CCCCOC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6-
InChIKeyVTUFOIHYMMMNOM-SREVYHEPSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About [(Z)-dec-5-enyl] acetate

[(Z)-dec-5-enyl] acetate (PubChem CID 5363513) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(Z)-dec-5-enyl] acetate.

Molecular Properties

Compound Name[(Z)-dec-5-enyl] acetate
PubChem CID5363513
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(Z)-dec-5-enyl] acetate
SMILESCCCC/C=C\CCCCOC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6-
InChIKeyVTUFOIHYMMMNOM-SREVYHEPSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
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

[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536

Frequently Asked Questions

What is the IUPAC name of [(Z)-dec-5-enyl] acetate?
The IUPAC name of [(Z)-dec-5-enyl] acetate (CID 5363513) is [(Z)-dec-5-enyl] acetate.
What is the SMILES notation for [(Z)-dec-5-enyl] acetate?
The canonical SMILES for [(Z)-dec-5-enyl] acetate is CCCC/C=C\CCCCOC(C)=O.
What is the InChIKey of [(Z)-dec-5-enyl] acetate?
The InChIKey is VTUFOIHYMMMNOM-SREVYHEPSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6-.
What are the key properties of [(Z)-dec-5-enyl] acetate?
[(Z)-dec-5-enyl] acetate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-5-enyl] acetate is sourced from PubChem (CID 5363513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).