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

C9H12O2 — CID 135083330

IUPAC7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCOC1CC2=C1CCCC2=O
InChIInChI=1S/C9H12O2/c1-11-9-5-7-6(9)3-2-4-8(7)10/h9H,2-5H2,1H3
InChIKeyHKYTYMLAWKFWBI-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.45
Rot. Bonds1

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

7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one (PubChem CID 135083330) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one.

Molecular Properties

Compound Name7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one
PubChem CID135083330
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESCOC1CC2=C1CCCC2=O
InChIInChI=1S/C9H12O2/c1-11-9-5-7-6(9)3-2-4-8(7)10/h9H,2-5H2,1H3
InChIKeyHKYTYMLAWKFWBI-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.45
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-Hydroxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083222
7-Ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083331
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
1-(3-Methoxycyclohexen-1-yl)ethanone
CID 82254008

Frequently Asked Questions

What is the IUPAC name of 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The IUPAC name of 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one (CID 135083330) is 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one.
What is the SMILES notation for 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The canonical SMILES for 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one is COC1CC2=C1CCCC2=O.
What is the InChIKey of 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one?
The InChIKey is HKYTYMLAWKFWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9-5-7-6(9)3-2-4-8(7)10/h9H,2-5H2,1H3.
What are the key properties of 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one?
7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxybicyclo[4.2.0]oct-1(6)-en-2-one is sourced from PubChem (CID 135083330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).