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

C7H10O3 — CID 100941844

IUPAC[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@H]2O[C@@H]12
InChIInChI=1S/C7H10O3/c1-4(8)9-5-2-3-6-7(5)10-6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1
InChIKeySSFFYZOETPWIJQ-XVMARJQXSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds1

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

[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate (PubChem CID 100941844) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
PubChem CID100941844
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@H]2O[C@@H]12
InChIInChI=1S/C7H10O3/c1-4(8)9-5-2-3-6-7(5)10-6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1
InChIKeySSFFYZOETPWIJQ-XVMARJQXSA-N
XLogP0.48
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2S,5R)-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

[(1S,3S,5S,6S,9Z,13S)-4,14-dioxatricyclo[11.1.0.03,5]tetradec-9-en-6-yl] acetate
CID 23255977
9-oxabicyclo[3.3.1]nonan-2-yl acetate
CID 539323
(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2R)-2-chlorocyclobutyl] acetate
CID 54233991
[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
CID 142045986
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2S,3R,5R,7R,8R,10R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yl] acetate
CID 124836742
[(1R,2R,5R)-6-oxo-9-oxabicyclo[3.3.1]nonan-2-yl] acetate
CID 101367426
[(3aR,4aR,7R,8R,8aR,8bR)-8-acetyl-2,2-dimethyl-3a,4a,5,6,7,8,8a,8b-octahydro-[1,3]dioxolo[4,5-b][1]benzofuran-7-yl] acetate
CID 10357316
[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 101465019
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
CID 167445479

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate?
The IUPAC name of [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate (CID 100941844) is [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate.
What is the SMILES notation for [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate?
The canonical SMILES for [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate is CC(=O)O[C@H]1CC[C@H]2O[C@@H]12.
What is the InChIKey of [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate?
The InChIKey is SSFFYZOETPWIJQ-XVMARJQXSA-N. The full InChI is InChI=1S/C7H10O3/c1-4(8)9-5-2-3-6-7(5)10-6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate?
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate has a molecular weight of 142.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate is sourced from PubChem (CID 100941844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).