5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol

C6H8O2 — CID 135045986

IUPAC5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol
SMILESCC12CC=C(O)C1O2
InChIInChI=1S/C6H8O2/c1-6-3-2-4(7)5(6)8-6/h2,5,7H,3H2,1H3
InChIKeyYDZISNQAZBUJLZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.99
Rot. Bonds

About 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol

5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol (PubChem CID 135045986) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol.

Molecular Properties

Compound Name5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol
PubChem CID135045986
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol
SMILESCC12CC=C(O)C1O2
InChIInChI=1S/C6H8O2/c1-6-3-2-4(7)5(6)8-6/h2,5,7H,3H2,1H3
InChIKeyYDZISNQAZBUJLZ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol?
The IUPAC name of 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol (CID 135045986) is 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol.
What is the SMILES notation for 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol?
The canonical SMILES for 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol is CC12CC=C(O)C1O2.
What is the InChIKey of 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol?
The InChIKey is YDZISNQAZBUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-6-3-2-4(7)5(6)8-6/h2,5,7H,3H2,1H3.
What are the key properties of 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol?
5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol has a molecular weight of 112.13 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-ol is sourced from PubChem (CID 135045986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).