8-oxabicyclo[3.2.1]oct-6-en-3-ol

C7H10O2 — CID 13182325

IUPAC8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(C1)O2
InChIInChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-8H,3-4H2
InChIKeyABVBRZBWLIIJPF-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.46
Rot. Bonds

About 8-oxabicyclo[3.2.1]oct-6-en-3-ol

8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 13182325) 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-3-ol.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID13182325
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(C1)O2
InChIInChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-8H,3-4H2
InChIKeyABVBRZBWLIIJPF-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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Related Compounds

Endo-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 10582787
8-Oxabicyclo[3.2.1]oct-6-ene
CID 12625720
2-Fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 172628456
3-Methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 557597
(1R,2R,4S,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 9989445
1-Methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 13541604
2,4-Dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 14737804
1-Ethenyltetrahydropyran-4-ol
CID 21682494
3-[[(1S,2S,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]propan-1-ol
CID 138968633
2-[(2R,6S)-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
CID 162415505
9-Oxabicyclo[4.2.1]non-7-en-3-ol
CID 557127
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 12669311

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 13182325) is 8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-6-en-3-ol is OC1CC2C=CC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is ABVBRZBWLIIJPF-UHFFFAOYSA-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.
What are the key properties of 8-oxabicyclo[3.2.1]oct-6-en-3-ol?
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 8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 13182325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).