methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate

C8H12O3 — CID 73120746

IUPACmethyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)CC1CCC2OC12
InChIInChI=1S/C8H12O3/c1-10-7(9)4-5-2-3-6-8(5)11-6/h5-6,8H,2-4H2,1H3
InChIKeyYRILMUUFHBEYOV-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds2

About methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate

methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate (PubChem CID 73120746) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
PubChem CID73120746
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)CC1CCC2OC12
InChIInChI=1S/C8H12O3/c1-10-7(9)4-5-2-3-6-8(5)11-6/h5-6,8H,2-4H2,1H3
InChIKeyYRILMUUFHBEYOV-UHFFFAOYSA-N
XLogP0.73
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate 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

Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl (2S)-2-fluoro-2-[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 11506604
rel-(1aR,2aS,5aS,5bS)-Hexahydro-4H-oxireno[2',3':3,4]cyclopenta[1,2-b]furan-4-one
CID 12701298
(1aS,2aR,5aR,5bR)-Tetrahydro-1aH-oxireno[2',3':3,4]cyclopenta[1,2-b]furan-4(5bH)-one
CID 12701296
Ethyl (1S,5R)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 10583016
methyl 2-fluoro-2-[(1S,2R,3S,5R)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 58193982
Methyl fluoro[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hex-2-yl]acetate
CID 59434307
methyl 2-fluoro-2-[(1S,2R)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 87241069
methyl 2-fluoro-2-[(2R,3S,5R)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 88891189
methyl 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 88891190
methyl 2-fluoro-2-[(1R,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 89042846
methyl (2R)-2-fluoro-2-[(1S,2R,3S,5R)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 123586197

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The IUPAC name of methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate (CID 73120746) is methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The canonical SMILES for methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate is COC(=O)CC1CCC2OC12.
What is the InChIKey of methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The InChIKey is YRILMUUFHBEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-7(9)4-5-2-3-6-8(5)11-6/h5-6,8H,2-4H2,1H3.
What are the key properties of methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate has a molecular weight of 156.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate is sourced from PubChem (CID 73120746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).