(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one

C7H10O2 — CID 44632343

IUPAC(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@H]2CC[C@@H]1O2
InChIInChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h5,7H,1-4H2/t5-,7-/m0/s1
InChIKeySGTQFLSSSJKNAC-FSPLSTOPSA-N
MW126.16 g/mol
LogP0.90
Rot. Bonds

About (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one

(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one (PubChem CID 44632343) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one
PubChem CID44632343
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@H]2CC[C@@H]1O2
InChIInChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h5,7H,1-4H2/t5-,7-/m0/s1
InChIKeySGTQFLSSSJKNAC-FSPLSTOPSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one (CID 44632343) is (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one is O=C1CC[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is SGTQFLSSSJKNAC-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h5,7H,1-4H2/t5-,7-/m0/s1.
What are the key properties of (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one?
(1S,5R)-8-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 44632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).