ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate

C10H16O3 — CID 18432780

IUPACethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate
SMILESCCOC(=O)CC1C2CCCOC21
InChIInChI=1S/C10H16O3/c1-2-12-9(11)6-8-7-4-3-5-13-10(7)8/h7-8,10H,2-6H2,1H3
InChIKeyZIYLKHFKJLJACY-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate

ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate (PubChem CID 18432780) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate
PubChem CID18432780
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate
SMILESCCOC(=O)CC1C2CCCOC21
InChIInChI=1S/C10H16O3/c1-2-12-9(11)6-8-7-4-3-5-13-10(7)8/h7-8,10H,2-6H2,1H3
InChIKeyZIYLKHFKJLJACY-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate?
The IUPAC name of ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate (CID 18432780) is ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate is CCOC(=O)CC1C2CCCOC21.
What is the InChIKey of ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate?
The InChIKey is ZIYLKHFKJLJACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-12-9(11)6-8-7-4-3-5-13-10(7)8/h7-8,10H,2-6H2,1H3.
What are the key properties of ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate?
ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate has a molecular weight of 184.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxabicyclo[4.1.0]heptan-7-yl)acetate is sourced from PubChem (CID 18432780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).