6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

C9H14O4 — CID 68732637

IUPAC6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCC12CC(=O)CC(C)(O1)C(O)C2O
InChIInChI=1S/C9H14O4/c1-8-3-5(10)4-9(2,13-8)7(12)6(8)11/h6-7,11-12H,3-4H2,1-2H3
InChIKeyKHCQMRLNERQHKR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.38
Rot. Bonds

About 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 68732637) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID68732637
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCC12CC(=O)CC(C)(O1)C(O)C2O
InChIInChI=1S/C9H14O4/c1-8-3-5(10)4-9(2,13-8)7(12)6(8)11/h6-7,11-12H,3-4H2,1-2H3
InChIKeyKHCQMRLNERQHKR-UHFFFAOYSA-N
XLogP-0.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-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 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (CID 68732637) is 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is CC12CC(=O)CC(C)(O1)C(O)C2O.
What is the InChIKey of 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is KHCQMRLNERQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-8-3-5(10)4-9(2,13-8)7(12)6(8)11/h6-7,11-12H,3-4H2,1-2H3.
What are the key properties of 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 186.21 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 68732637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).