7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one

C10H14O2 — CID 135083331

IUPAC7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCCOC1CC2=C1CCCC2=O
InChIInChI=1S/C10H14O2/c1-2-12-10-6-8-7(10)4-3-5-9(8)11/h10H,2-6H2,1H3
InChIKeyPFUXKZGAZNZVTR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds2

About 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one

7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one (PubChem CID 135083331) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one.

Molecular Properties

Compound Name7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
PubChem CID135083331
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCCOC1CC2=C1CCCC2=O
InChIInChI=1S/C10H14O2/c1-2-12-10-6-8-7(10)4-3-5-9(8)11/h10H,2-6H2,1H3
InChIKeyPFUXKZGAZNZVTR-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-Oxo-7-bicyclo[4.2.0]oct-1(6)-enyl) acetate
CID 135081243
7,7-Diethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083075
7-Methoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083330
3,4-dimethyl-6-pentyl-2H-pyran-5-one
CID 69345598
6-hexyl-3,4-dimethyl-2H-pyran-5-one
CID 69345871
3-Ethyl-4-(oxolan-2-yl)cyclobut-3-ene-1,2-dione
CID 89960724
4-Methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one
CID 91519459
Bicyclo[4.2.0]oct-1(6)-EN-2-one, 7,8-diethoxy-
CID 12382264
7-Ethoxy-4,4-dimethylbicyclo[4.2.0]oct-1(6)-en-2-one
CID 13130304
Ethyl 2-methyl-5-oxocyclohex-1-ene-1-carboxylate
CID 15351909

Frequently Asked Questions

What is the IUPAC name of 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The IUPAC name of 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one (CID 135083331) is 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one.
What is the SMILES notation for 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The canonical SMILES for 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one is CCOC1CC2=C1CCCC2=O.
What is the InChIKey of 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The InChIKey is PFUXKZGAZNZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-10-6-8-7(10)4-3-5-9(8)11/h10H,2-6H2,1H3.
What are the key properties of 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one?
7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one is sourced from PubChem (CID 135083331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).