6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one

C10H16O2 — CID 21407129

IUPAC6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CCC12C
InChIInChI=1S/C10H16O2/c1-3-12-9-6-7-8(11)4-5-10(7,9)2/h7,9H,3-6H2,1-2H3
InChIKeyTZGJOYZFIKLNCL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one

6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one (PubChem CID 21407129) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one
PubChem CID21407129
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CCC12C
InChIInChI=1S/C10H16O2/c1-3-12-9-6-7-8(11)4-5-10(7,9)2/h7,9H,3-6H2,1-2H3
InChIKeyTZGJOYZFIKLNCL-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one (CID 21407129) is 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one is CCOC1CC2C(=O)CCC12C.
What is the InChIKey of 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one?
The InChIKey is TZGJOYZFIKLNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-9-6-7-8(11)4-5-10(7,9)2/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one?
6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 21407129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).