[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate

C10H16O6 — CID 91073581

IUPAC[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
SMILESCC(=O)O[C@@H]1CO[C@@H](COC(=O)C(C)C)O1
InChIInChI=1S/C10H16O6/c1-6(2)10(12)14-4-8-13-5-9(16-8)15-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeySMWZGSRYKQRJCV-BDAKNGLRSA-N
MW232.23 g/mol
LogP0.45
Rot. Bonds4

About [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate

[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 91073581) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
PubChem CID91073581
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
SMILESCC(=O)O[C@@H]1CO[C@@H](COC(=O)C(C)C)O1
InChIInChI=1S/C10H16O6/c1-6(2)10(12)14-4-8-13-5-9(16-8)15-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeySMWZGSRYKQRJCV-BDAKNGLRSA-N
XLogP0.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate 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

[(2R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate;[(2R)-4-oxo-1,3-dioxolan-2-yl]methyl 2-methylpropanoate
CID 159016308
[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
CID 118903241
(2S,4R)-2-(2-methylpropanoyloxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185446
2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate
CID 25132626
[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
CID 134285618
cyclopentylmethyl 2-methylpropanoate
CID 21063892
(5-bromooxan-2-yl) acetate
CID 91987610
[(2R,3S,4R)-3,4-bis(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate
CID 121247498
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 143562159
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl acetate
CID 54269499

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate (CID 91073581) is [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate is CC(=O)O[C@@H]1CO[C@@H](COC(=O)C(C)C)O1.
What is the InChIKey of [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate?
The InChIKey is SMWZGSRYKQRJCV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(2)10(12)14-4-8-13-5-9(16-8)15-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate?
[(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 232.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 91073581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).