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

C7H12O2 — CID 163541626

IUPAC[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol
SMILESC[C@@]12CC1O[C@H](CO)C2
InChIInChI=1S/C7H12O2/c1-7-2-5(4-8)9-6(7)3-7/h5-6,8H,2-4H2,1H3/t5-,6?,7+/m0/s1
InChIKeyFBOKIDQRINKSSI-REJBHVJUSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds1

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

[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol (PubChem CID 163541626) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol
PubChem CID163541626
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol
SMILESC[C@@]12CC1O[C@H](CO)C2
InChIInChI=1S/C7H12O2/c1-7-2-5(4-8)9-6(7)3-7/h5-6,8H,2-4H2,1H3/t5-,6?,7+/m0/s1
InChIKeyFBOKIDQRINKSSI-REJBHVJUSA-N
XLogP0.55
TPSA29.46 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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-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

Related Compounds

[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
CID 134176711
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
CID 147254336
CID 147254336
[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate
CID 10880728
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
CID 574735
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
(3S,5R)-3-(hydroxymethyl)-7,7-dimethyl-2,6-dioxabicyclo[3.2.0]heptan-1-ol
CID 67724921
(4-methyl-5-sulfanyloxolan-2-yl)methanol
CID 163849381
[(2S,4S)-4-ethyloxolan-2-yl]methanol
CID 124585151
[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]methanol
CID 10704445

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol?
The IUPAC name of [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol (CID 163541626) is [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol?
The canonical SMILES for [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol is C[C@@]12CC1O[C@H](CO)C2.
What is the InChIKey of [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol?
The InChIKey is FBOKIDQRINKSSI-REJBHVJUSA-N. The full InChI is InChI=1S/C7H12O2/c1-7-2-5(4-8)9-6(7)3-7/h5-6,8H,2-4H2,1H3/t5-,6?,7+/m0/s1.
What are the key properties of [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol?
[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol is sourced from PubChem (CID 163541626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).