[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol

C7H12O2 — CID 58620310

IUPAC[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESC[C@@H]1C[C@@H]2O[C@@H]2[C@H]1CO
InChIInChI=1S/C7H12O2/c1-4-2-6-7(9-6)5(4)3-8/h4-8H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyJLFFJKJJJGUMRE-JRTVQGFMSA-N
MW128.17 g/mol
LogP0.40
Rot. Bonds1

About [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol

[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 58620310) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID58620310
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESC[C@@H]1C[C@@H]2O[C@@H]2[C@H]1CO
InChIInChI=1S/C7H12O2/c1-4-2-6-7(9-6)5(4)3-8/h4-8H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyJLFFJKJJJGUMRE-JRTVQGFMSA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol (CID 58620310) is [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol is C[C@@H]1C[C@@H]2O[C@@H]2[C@H]1CO.
What is the InChIKey of [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is JLFFJKJJJGUMRE-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-2-6-7(9-6)5(4)3-8/h4-8H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1.
What are the key properties of [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol?
[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 58620310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).