[(2E)-8-methylcyclooct-2-en-1-yl] acetate

C11H18O2 — CID 159103280

IUPAC[(2E)-8-methylcyclooct-2-en-1-yl] acetate
SMILESCC(=O)OC1/C=C\CCCCC1C
InChIInChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-11(9)13-10(2)12/h6,8-9,11H,3-5,7H2,1-2H3/b8-6-
InChIKeyWAPTZQNMPNOUFN-VURMDHGXSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About [(2E)-8-methylcyclooct-2-en-1-yl] acetate

[(2E)-8-methylcyclooct-2-en-1-yl] acetate (PubChem CID 159103280) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(2E)-8-methylcyclooct-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(2E)-8-methylcyclooct-2-en-1-yl] acetate
PubChem CID159103280
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(2E)-8-methylcyclooct-2-en-1-yl] acetate
SMILESCC(=O)OC1/C=C\CCCCC1C
InChIInChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-11(9)13-10(2)12/h6,8-9,11H,3-5,7H2,1-2H3/b8-6-
InChIKeyWAPTZQNMPNOUFN-VURMDHGXSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E)-8-methylcyclooct-2-en-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(1S,2S)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 11344622
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
cyclohex-2-en-1-yl acetate;methane
CID 159882311
(6-methylcyclohex-2-en-1-yl) carbamate
CID 174949561
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(8-acetamidocyclooct-2-en-1-yl) hydrogen carbonate
CID 123296457
(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate
CID 163799221
(6-acetyloxycyclodecyl) acetate
CID 539578
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
[(1R,4R,5S)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate
CID 13377895

Frequently Asked Questions

What is the IUPAC name of [(2E)-8-methylcyclooct-2-en-1-yl] acetate?
The IUPAC name of [(2E)-8-methylcyclooct-2-en-1-yl] acetate (CID 159103280) is [(2E)-8-methylcyclooct-2-en-1-yl] acetate.
What is the SMILES notation for [(2E)-8-methylcyclooct-2-en-1-yl] acetate?
The canonical SMILES for [(2E)-8-methylcyclooct-2-en-1-yl] acetate is CC(=O)OC1/C=C\CCCCC1C.
What is the InChIKey of [(2E)-8-methylcyclooct-2-en-1-yl] acetate?
The InChIKey is WAPTZQNMPNOUFN-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-11(9)13-10(2)12/h6,8-9,11H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of [(2E)-8-methylcyclooct-2-en-1-yl] acetate?
[(2E)-8-methylcyclooct-2-en-1-yl] acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-8-methylcyclooct-2-en-1-yl] acetate is sourced from PubChem (CID 159103280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).