7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one

C12H18O2 — CID 13130304

IUPAC7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCCOC1CC2=C1CC(C)(C)CC2=O
InChIInChI=1S/C12H18O2/c1-4-14-11-5-8-9(11)6-12(2,3)7-10(8)13/h11H,4-7H2,1-3H3
InChIKeyJDRBVVINSJENNA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one

7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one (PubChem CID 13130304) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one.

Molecular Properties

Compound Name7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one
PubChem CID13130304
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCCOC1CC2=C1CC(C)(C)CC2=O
InChIInChI=1S/C12H18O2/c1-4-14-11-5-8-9(11)6-12(2,3)7-10(8)13/h11H,4-7H2,1-3H3
InChIKeyJDRBVVINSJENNA-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-, ethyl ester
CID 586472
2,4,4-Trimethyl-3-acetoxymethylcyclohex-2-en-1-one
CID 14286544
1-(2,6,6-Trimethyl-3-oxocyclohexen-1-yl)ethyl acetate
CID 14676449
[2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-yl] acetate
CID 15601965
(2-Oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate
CID 135081243
7-Methoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083330
7-Ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083331
5,5-Dimethyl-3-(3-methyl-oxiran-2-yl)-cyclohex-2-enone
CID 565952
2-(2-Ethoxyethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 5324059
2-(1-Methoxyethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 21679953
2,2,4,6,6-pentamethyl-7,7a-dihydro-3H-1-benzofuran-5-one
CID 58627297
Methyl 3-cyclobutyloxy-2,6,6-trimethylcyclohexene-1-carboxylate
CID 132020693

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one?
The IUPAC name of 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one (CID 13130304) is 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one.
What is the SMILES notation for 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one?
The canonical SMILES for 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one is CCOC1CC2=C1CC(C)(C)CC2=O.
What is the InChIKey of 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one?
The InChIKey is JDRBVVINSJENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-14-11-5-8-9(11)6-12(2,3)7-10(8)13/h11H,4-7H2,1-3H3.
What are the key properties of 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one?
7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one is sourced from PubChem (CID 13130304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).