4-methoxy-6-oxabicyclo[3.2.1]octan-7-one

C8H12O3 — CID 58905994

IUPAC4-methoxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESCOC1CCC2CC1OC2=O
InChIInChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(6)11-8(5)9/h5-7H,2-4H2,1H3
InChIKeyFLVARFRBQVFJFP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds1

About 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one

4-methoxy-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 58905994) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name4-methoxy-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID58905994
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-methoxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESCOC1CCC2CC1OC2=O
InChIInChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(6)11-8(5)9/h5-7H,2-4H2,1H3
InChIKeyFLVARFRBQVFJFP-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one (CID 58905994) is 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one is COC1CCC2CC1OC2=O.
What is the InChIKey of 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is FLVARFRBQVFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(6)11-8(5)9/h5-7H,2-4H2,1H3.
What are the key properties of 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one?
4-methoxy-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 58905994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).