hexadec-8-enyl acetate

C18H34O2 — CID 538136

IUPAChexadec-8-enyl acetate
SMILESCCCCCCCC=CCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h9-10H,3-8,11-17H2,1-2H3
InChIKeyGUUHMNNQEULCRL-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds14

About hexadec-8-enyl acetate

hexadec-8-enyl acetate (PubChem CID 538136) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is hexadec-8-enyl acetate.

Molecular Properties

Compound Namehexadec-8-enyl acetate
PubChem CID538136
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namehexadec-8-enyl acetate
SMILESCCCCCCCC=CCCCCCCCOC(C)=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h9-10H,3-8,11-17H2,1-2H3
InChIKeyGUUHMNNQEULCRL-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
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

octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(Z)-dec-5-enyl] acetate
CID 5363513
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
heptadeca-9,11-dienyl acetate
CID 168861599
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116

Frequently Asked Questions

What is the IUPAC name of hexadec-8-enyl acetate?
The IUPAC name of hexadec-8-enyl acetate (CID 538136) is hexadec-8-enyl acetate.
What is the SMILES notation for hexadec-8-enyl acetate?
The canonical SMILES for hexadec-8-enyl acetate is CCCCCCCC=CCCCCCCCOC(C)=O.
What is the InChIKey of hexadec-8-enyl acetate?
The InChIKey is GUUHMNNQEULCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h9-10H,3-8,11-17H2,1-2H3.
What are the key properties of hexadec-8-enyl acetate?
hexadec-8-enyl acetate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-8-enyl acetate is sourced from PubChem (CID 538136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).