8-oxabicyclo[3.2.1]oct-6-en-2-ol

C7H10O2 — CID 130127599

IUPAC8-oxabicyclo[3.2.1]oct-6-en-2-ol
SMILESOC1CCC2C=CC1O2
InChIInChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-8H,1,3H2
InChIKeyXESHJCLQOGZBMG-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.46
Rot. Bonds

About 8-oxabicyclo[3.2.1]oct-6-en-2-ol

8-oxabicyclo[3.2.1]oct-6-en-2-ol (PubChem CID 130127599) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]oct-6-en-2-ol.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-6-en-2-ol
PubChem CID130127599
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name8-oxabicyclo[3.2.1]oct-6-en-2-ol
SMILESOC1CCC2C=CC1O2
InChIInChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-8H,1,3H2
InChIKeyXESHJCLQOGZBMG-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-2-ol?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-2-ol (CID 130127599) is 8-oxabicyclo[3.2.1]oct-6-en-2-ol.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-6-en-2-ol?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-6-en-2-ol is OC1CCC2C=CC1O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-6-en-2-ol?
The InChIKey is XESHJCLQOGZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-8H,1,3H2.
What are the key properties of 8-oxabicyclo[3.2.1]oct-6-en-2-ol?
8-oxabicyclo[3.2.1]oct-6-en-2-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 8-oxabicyclo[3.2.1]oct-6-en-2-ol is sourced from PubChem (CID 130127599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).