(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol

C6H8O3 — CID 10942437

IUPAC(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
SMILESO[C@H]1C=C[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1
InChIKeyJUEHHXVLFOIJJJ-KVQBGUIXSA-N
MW128.13 g/mol
LogP-0.34
Rot. Bonds

About (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol

(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 10942437) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
PubChem CID10942437
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
SMILESO[C@H]1C=C[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1
InChIKeyJUEHHXVLFOIJJJ-KVQBGUIXSA-N
XLogP-0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol (CID 10942437) is (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol is O[C@H]1C=C[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is JUEHHXVLFOIJJJ-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
(1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 128.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 10942437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).