[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate

C11H16O7 — CID 70902422

IUPAC[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)15-4-9-11(18-8(3)14)10(5-16-9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyAGTSQJAVJCFOSJ-KPPDAEKUSA-N
MW260.24 g/mol
LogP-0.19
Rot. Bonds4

About [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate

[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate (PubChem CID 70902422) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
PubChem CID70902422
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)15-4-9-11(18-8(3)14)10(5-16-9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyAGTSQJAVJCFOSJ-KPPDAEKUSA-N
XLogP-0.19
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
CID 526631
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
(4-acetyloxy-3,5-dimethoxyoxan-2-yl)methyl acetate
CID 526606
[(2S,3R,4S,5S)-3-acetamido-4,5-diacetyloxyoxan-2-yl]methyl acetate
CID 139093780
[(4S)-3,4-diacetyloxyoxan-2-yl]methyl acetate
CID 168951492
[(2R,3R,4R,5S)-3,4,5-tris[(2-deuterioacetyl)oxy]oxan-2-yl]methyl 2-deuterioacetate
CID 139782838
[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(2R,3R,5S)-3,4-diacetyloxy-5-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 135193868
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate (CID 70902422) is [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OCC(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate?
The InChIKey is AGTSQJAVJCFOSJ-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H16O7/c1-6(12)15-4-9-11(18-8(3)14)10(5-16-9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10?,11?/m1/s1.
What are the key properties of [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate?
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate has a molecular weight of 260.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 70902422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).