[(4Z)-4-methylcyclooct-4-en-1-yl] acetate

C11H18O2 — CID 23092720

IUPAC[(4Z)-4-methylcyclooct-4-en-1-yl] acetate
SMILESCC(=O)OC1CCC/C=C(/C)CC1
InChIInChI=1S/C11H18O2/c1-9-5-3-4-6-11(8-7-9)13-10(2)12/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyDRPIKXYIXFGTJT-UITAMQMPSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds1

About [(4Z)-4-methylcyclooct-4-en-1-yl] acetate

[(4Z)-4-methylcyclooct-4-en-1-yl] acetate (PubChem CID 23092720) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(4Z)-4-methylcyclooct-4-en-1-yl] acetate.

Molecular Properties

Compound Name[(4Z)-4-methylcyclooct-4-en-1-yl] acetate
PubChem CID23092720
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(4Z)-4-methylcyclooct-4-en-1-yl] acetate
SMILESCC(=O)OC1CCC/C=C(/C)CC1
InChIInChI=1S/C11H18O2/c1-9-5-3-4-6-11(8-7-9)13-10(2)12/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyDRPIKXYIXFGTJT-UITAMQMPSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
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 [(4Z)-4-methylcyclooct-4-en-1-yl] acetate?
The IUPAC name of [(4Z)-4-methylcyclooct-4-en-1-yl] acetate (CID 23092720) is [(4Z)-4-methylcyclooct-4-en-1-yl] acetate.
What is the SMILES notation for [(4Z)-4-methylcyclooct-4-en-1-yl] acetate?
The canonical SMILES for [(4Z)-4-methylcyclooct-4-en-1-yl] acetate is CC(=O)OC1CCC/C=C(/C)CC1.
What is the InChIKey of [(4Z)-4-methylcyclooct-4-en-1-yl] acetate?
The InChIKey is DRPIKXYIXFGTJT-UITAMQMPSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-3-4-6-11(8-7-9)13-10(2)12/h5,11H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of [(4Z)-4-methylcyclooct-4-en-1-yl] acetate?
[(4Z)-4-methylcyclooct-4-en-1-yl] acetate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-methylcyclooct-4-en-1-yl] acetate is sourced from PubChem (CID 23092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).