(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C7H10O2 — CID 10582787

IUPAC(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-8H,3-4H2/t5?,6-,7+
InChIKeyABVBRZBWLIIJPF-DGUCWDHESA-N
MW126.15 g/mol
LogP0.46
Rot. Bonds

About (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 10582787) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID10582787
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-8H,3-4H2/t5?,6-,7+
InChIKeyABVBRZBWLIIJPF-DGUCWDHESA-N
XLogP0.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol 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]oct-6-en-3-ol?
The IUPAC name of (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 10582787) is (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is OC1C[C@H]2C=C[C@@H](C1)O2.
What is the InChIKey of (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is ABVBRZBWLIIJPF-DGUCWDHESA-N. The full InChI is InChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-8H,3-4H2/t5?,6-,7+.
What are the key properties of (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
(1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 126.15 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 10582787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).