(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol

C7H12O2 — CID 100948278

IUPAC(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
SMILESCC1C[C@H]2[C@@H]1CO[C@@H]2O
InChIInChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3/t4?,5-,6+,7-/m0/s1
InChIKeyWCLKOMKFNASBBW-VCMXMKNLSA-N
MW128.17 g/mol
LogP0.61
Rot. Bonds

About (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol

(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol (PubChem CID 100948278) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
PubChem CID100948278
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
SMILESCC1C[C@H]2[C@@H]1CO[C@@H]2O
InChIInChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3/t4?,5-,6+,7-/m0/s1
InChIKeyWCLKOMKFNASBBW-VCMXMKNLSA-N
XLogP0.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 130146998
(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
CID 177218035
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
3,4,5-trimethyloxan-2-ol
CID 23586464
(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 11147824
4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 550026
3,6-dimethyltricyclo[3.3.0.02,8]octane
CID 123298522
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
1a,2,2a,3,5,5a,6,6a-octahydrooxireno[2,3-f][2]benzofuran-3-ol
CID 163873377
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-methyloxirane;polane
CID 173240072

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The IUPAC name of (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol (CID 100948278) is (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol.
What is the SMILES notation for (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The canonical SMILES for (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol is CC1C[C@H]2[C@@H]1CO[C@@H]2O.
What is the InChIKey of (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The InChIKey is WCLKOMKFNASBBW-VCMXMKNLSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3/t4?,5-,6+,7-/m0/s1.
What are the key properties of (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol is sourced from PubChem (CID 100948278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).