2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol

C8H14O3 — CID 23727465

IUPAC2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol
SMILESCO[C@H]1O[C@@H]2C[C@@H]2[C@@H]1CCO
InChIInChI=1S/C8H14O3/c1-10-8-5(2-3-9)6-4-7(6)11-8/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyXXEPHUVNVSZDEL-OSMVPFSASA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds3

About 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol

2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol (PubChem CID 23727465) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol
PubChem CID23727465
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol
SMILESCO[C@H]1O[C@@H]2C[C@@H]2[C@@H]1CCO
InChIInChI=1S/C8H14O3/c1-10-8-5(2-3-9)6-4-7(6)11-8/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyXXEPHUVNVSZDEL-OSMVPFSASA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol 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

4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558
(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 10329588
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58400407
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
2-[(2R,3R,4R)-4-ethoxy-2-methoxy-7-methylideneoxepan-3-yl]ethanol
CID 89338542
[(2R,3R,4R,5R)-4-deuterio-5-(2-hydroxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate
CID 100987010
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol?
The IUPAC name of 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol (CID 23727465) is 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol.
What is the SMILES notation for 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol?
The canonical SMILES for 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol is CO[C@H]1O[C@@H]2C[C@@H]2[C@@H]1CCO.
What is the InChIKey of 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol?
The InChIKey is XXEPHUVNVSZDEL-OSMVPFSASA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8-5(2-3-9)6-4-7(6)11-8/h5-9H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol?
2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol is sourced from PubChem (CID 23727465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).