6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one

C10H14O3 — CID 13031647

IUPAC6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCCOC1CC2(C)OC1C=CC2=O
InChIInChI=1S/C10H14O3/c1-3-12-8-6-10(2)9(11)5-4-7(8)13-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCXLKWTFTWLFUOA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds2

About 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one

6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 13031647) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID13031647
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCCOC1CC2(C)OC1C=CC2=O
InChIInChI=1S/C10H14O3/c1-3-12-8-6-10(2)9(11)5-4-7(8)13-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCXLKWTFTWLFUOA-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R,6R)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031646
(7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102250742
(3aS,7aS)-3a-methoxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one
CID 102527709
11-Oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130036435
(1S,5S,6S)-6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 130930473
(1S,7R)-11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130985797
(E)-1-[(1R,4S)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl]but-2-en-1-one
CID 102118424
1-Prop-2-ynyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 89568076
(1S,5S)-1,2',5-trimethylspiro[8-oxabicyclo[3.2.1]oct-3-ene-6,6'-pyran]-2,3'-dione
CID 10848139
(1S,2S,6S,7S)-2,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 11020529
(1S,5R,7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 11217441
6-Ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031644

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 13031647) is 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one is CCOC1CC2(C)OC1C=CC2=O.
What is the InChIKey of 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is CXLKWTFTWLFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-12-8-6-10(2)9(11)5-4-7(8)13-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 13031647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).