[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate

C8H12O6 — CID 118903241

IUPAC[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OCC(OC(C)=O)O1
InChIInChI=1S/C8H12O6/c1-5(9)11-3-7-12-4-8(14-7)13-6(2)10/h7-8H,3-4H2,1-2H3/t7-,8?/m0/s1
InChIKeyIEACXDOKNCCUGM-JAMMHHFISA-N
MW204.18 g/mol
LogP-0.19
Rot. Bonds3

About [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate

[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate (PubChem CID 118903241) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
PubChem CID118903241
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OCC(OC(C)=O)O1
InChIInChI=1S/C8H12O6/c1-5(9)11-3-7-12-4-8(14-7)13-6(2)10/h7-8H,3-4H2,1-2H3/t7-,8?/m0/s1
InChIKeyIEACXDOKNCCUGM-JAMMHHFISA-N
XLogP-0.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
CID 91073581
[(2R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate;[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
CID 159016308
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2S,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl acetate
CID 54269499
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate
CID 25132626
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate?
The IUPAC name of [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate (CID 118903241) is [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OCC(OC(C)=O)O1.
What is the InChIKey of [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate?
The InChIKey is IEACXDOKNCCUGM-JAMMHHFISA-N. The full InChI is InChI=1S/C8H12O6/c1-5(9)11-3-7-12-4-8(14-7)13-6(2)10/h7-8H,3-4H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate?
[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate has a molecular weight of 204.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate is sourced from PubChem (CID 118903241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).