6-ethoxybicyclo[4.2.0]oct-2-en-7-one

C10H14O2 — CID 23051899

IUPAC6-ethoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCCOC12CCC=CC1CC2=O
InChIInChI=1S/C10H14O2/c1-2-12-10-6-4-3-5-8(10)7-9(10)11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyMZWOQUQRXQVUOL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds2

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

6-ethoxybicyclo[4.2.0]oct-2-en-7-one (PubChem CID 23051899) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-ethoxybicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name6-ethoxybicyclo[4.2.0]oct-2-en-7-one
PubChem CID23051899
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-ethoxybicyclo[4.2.0]oct-2-en-7-one
SMILESCCOC12CCC=CC1CC2=O
InChIInChI=1S/C10H14O2/c1-2-12-10-6-4-3-5-8(10)7-9(10)11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyMZWOQUQRXQVUOL-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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 6-ethoxybicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 6-ethoxybicyclo[4.2.0]oct-2-en-7-one (CID 23051899) is 6-ethoxybicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 6-ethoxybicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 6-ethoxybicyclo[4.2.0]oct-2-en-7-one is CCOC12CCC=CC1CC2=O.
What is the InChIKey of 6-ethoxybicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is MZWOQUQRXQVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-10-6-4-3-5-8(10)7-9(10)11/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 6-ethoxybicyclo[4.2.0]oct-2-en-7-one?
6-ethoxybicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxybicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 23051899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).