6-ethoxybicyclo[3.2.0]heptan-2-one

C9H14O2 — CID 14939341

IUPAC6-ethoxybicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CCC12
InChIInChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3
InChIKeyZSRRCVLTLFMRNU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.39
Rot. Bonds2

About 6-ethoxybicyclo[3.2.0]heptan-2-one

6-ethoxybicyclo[3.2.0]heptan-2-one (PubChem CID 14939341) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethoxybicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name6-ethoxybicyclo[3.2.0]heptan-2-one
PubChem CID14939341
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethoxybicyclo[3.2.0]heptan-2-one
SMILESCCOC1CC2C(=O)CCC12
InChIInChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3
InChIKeyZSRRCVLTLFMRNU-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxybicyclo[3.2.0]heptan-2-one?
The IUPAC name of 6-ethoxybicyclo[3.2.0]heptan-2-one (CID 14939341) is 6-ethoxybicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for 6-ethoxybicyclo[3.2.0]heptan-2-one?
The canonical SMILES for 6-ethoxybicyclo[3.2.0]heptan-2-one is CCOC1CC2C(=O)CCC12.
What is the InChIKey of 6-ethoxybicyclo[3.2.0]heptan-2-one?
The InChIKey is ZSRRCVLTLFMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-5-7-6(9)3-4-8(7)10/h6-7,9H,2-5H2,1H3.
What are the key properties of 6-ethoxybicyclo[3.2.0]heptan-2-one?
6-ethoxybicyclo[3.2.0]heptan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxybicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 14939341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).