(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate

C10H12O3 — CID 135081243

IUPAC(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate
SMILESCC(=O)OC1CC2=C1CCCC2=O
InChIInChI=1S/C10H12O3/c1-6(11)13-10-5-8-7(10)3-2-4-9(8)12/h10H,2-5H2,1H3
InChIKeyXITPCHJOZPWBFG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds1

About (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate

(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate (PubChem CID 135081243) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate.

Molecular Properties

Compound Name(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate
PubChem CID135081243
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate
SMILESCC(=O)OC1CC2=C1CCCC2=O
InChIInChI=1S/C10H12O3/c1-6(11)13-10-5-8-7(10)3-2-4-9(8)12/h10H,2-5H2,1H3
InChIKeyXITPCHJOZPWBFG-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dictyopyrone C
CID 10357947
Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156
Methyl 2-methyl-3-oxocyclohex-1-ene-1-carboxylate
CID 11041105
1-Cyclohexene-1-carboxylic acid, 2-methyl-6-oxo-, ethyl ester
CID 10726108
Methyl 2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylate
CID 91444841
3-butyl-4-hexyl-2-methyl-2H-furan-5-one
CID 139240510
Dipropan-2-yl cyclohexene-1,2-dicarboxylate
CID 347763
methyl (S)-8-(4,6-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-8-Oxooctanoate
CID 118593683
7,7-Dimethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 12382250
7,8-Dimethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 12382263
(2-Methyl-6-oxocyclohexen-1-yl)methyl acetate
CID 15871490
2-Ethoxycarbonylcyclohexen-1-olate
CID 100929678

Frequently Asked Questions

What is the IUPAC name of (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate?
The IUPAC name of (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate (CID 135081243) is (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate.
What is the SMILES notation for (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate?
The canonical SMILES for (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate is CC(=O)OC1CC2=C1CCCC2=O.
What is the InChIKey of (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate?
The InChIKey is XITPCHJOZPWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6(11)13-10-5-8-7(10)3-2-4-9(8)12/h10H,2-5H2,1H3.
What are the key properties of (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate?
(2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate has a molecular weight of 180.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate is sourced from PubChem (CID 135081243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).