[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate

C10H14O5 — CID 101060819

IUPAC[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H]2CO[C@H](OC(C)=O)[C@@H]12
InChIInChI=1S/C10H14O5/c1-5(11)13-3-7-8-4-14-10(9(7)8)15-6(2)12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-/m1/s1
InChIKeyYMVLYTLBVHWABZ-XFWSIPNHSA-N
MW214.22 g/mol
LogP0.33
Rot. Bonds3

About [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate

[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate (PubChem CID 101060819) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate
PubChem CID101060819
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H]2CO[C@H](OC(C)=O)[C@@H]12
InChIInChI=1S/C10H14O5/c1-5(11)13-3-7-8-4-14-10(9(7)8)15-6(2)12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-/m1/s1
InChIKeyYMVLYTLBVHWABZ-XFWSIPNHSA-N
XLogP0.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate with MolForge

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Related Compounds

(2,3,5-triacetyloxy-6-methyloxan-4-yl)methyl acetate
CID 129237494
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
(4,5-diacetyloxy-3-oxabicyclo[4.1.0]heptan-2-yl)methyl acetate
CID 143692874
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3R,5S)-6-acetyloxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 121290489
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate?
The IUPAC name of [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate (CID 101060819) is [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate.
What is the SMILES notation for [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate?
The canonical SMILES for [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate is CC(=O)OC[C@@H]1[C@@H]2CO[C@H](OC(C)=O)[C@@H]12.
What is the InChIKey of [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate?
The InChIKey is YMVLYTLBVHWABZ-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H14O5/c1-5(11)13-3-7-8-4-14-10(9(7)8)15-6(2)12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate?
[(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S,6R)-2-acetyloxy-3-oxabicyclo[3.1.0]hexan-6-yl]methyl acetate is sourced from PubChem (CID 101060819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).