(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol

C6H8O2 — CID 11263483

IUPAC(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESO[C@H]1C=CC[C@@H]2O[C@@H]21
InChIInChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h1-2,4-7H,3H2/t4-,5-,6+/m0/s1
InChIKeyWWADCKSALBPDIM-HCWXCVPCSA-N
MW112.13 g/mol
LogP0.07
Rot. Bonds

About (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol

(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol (PubChem CID 11263483) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol
PubChem CID11263483
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESO[C@H]1C=CC[C@@H]2O[C@@H]21
InChIInChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h1-2,4-7H,3H2/t4-,5-,6+/m0/s1
InChIKeyWWADCKSALBPDIM-HCWXCVPCSA-N
XLogP0.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The IUPAC name of (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol (CID 11263483) is (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol.
What is the SMILES notation for (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The canonical SMILES for (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol is O[C@H]1C=CC[C@@H]2O[C@@H]21.
What is the InChIKey of (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The InChIKey is WWADCKSALBPDIM-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h1-2,4-7H,3H2/t4-,5-,6+/m0/s1.
What are the key properties of (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
(1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol has a molecular weight of 112.13 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-ol is sourced from PubChem (CID 11263483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).