[(3Z)-cyclooct-3-en-1-yl] acetate

C10H16O2 — CID 13284099

IUPAC[(3Z)-cyclooct-3-en-1-yl] acetate
SMILESCC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3/b5-3-
InChIKeyKPSARPUXFQVFOT-HYXAFXHYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds1

About [(3Z)-cyclooct-3-en-1-yl] acetate

[(3Z)-cyclooct-3-en-1-yl] acetate (PubChem CID 13284099) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(3Z)-cyclooct-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(3Z)-cyclooct-3-en-1-yl] acetate
PubChem CID13284099
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(3Z)-cyclooct-3-en-1-yl] acetate
SMILESCC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3/b5-3-
InChIKeyKPSARPUXFQVFOT-HYXAFXHYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-cyclooct-3-en-1-yl] acetate?
The IUPAC name of [(3Z)-cyclooct-3-en-1-yl] acetate (CID 13284099) is [(3Z)-cyclooct-3-en-1-yl] acetate.
What is the SMILES notation for [(3Z)-cyclooct-3-en-1-yl] acetate?
The canonical SMILES for [(3Z)-cyclooct-3-en-1-yl] acetate is CC(=O)OC1C/C=C\CCCC1.
What is the InChIKey of [(3Z)-cyclooct-3-en-1-yl] acetate?
The InChIKey is KPSARPUXFQVFOT-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h3,5,10H,2,4,6-8H2,1H3/b5-3-.
What are the key properties of [(3Z)-cyclooct-3-en-1-yl] acetate?
[(3Z)-cyclooct-3-en-1-yl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-cyclooct-3-en-1-yl] acetate is sourced from PubChem (CID 13284099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).