8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one

C11H16O2 — CID 23051887

IUPAC8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCCC1C(=O)C2(OC)CCC=CC12
InChIInChI=1S/C11H16O2/c1-3-8-9-6-4-5-7-11(9,13-2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyLOMBXYCTSNHUJB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

About 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one

8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one (PubChem CID 23051887) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
PubChem CID23051887
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCCC1C(=O)C2(OC)CCC=CC12
InChIInChI=1S/C11H16O2/c1-3-8-9-6-4-5-7-11(9,13-2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyLOMBXYCTSNHUJB-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one (CID 23051887) is 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one is CCC1C(=O)C2(OC)CCC=CC12.
What is the InChIKey of 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is LOMBXYCTSNHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-9-6-4-5-7-11(9,13-2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one?
8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 23051887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).