[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate

C13H20O6 — CID 11219495

IUPAC[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
InChIInChI=1S/C13H20O6/c1-13(2,3)12(15)18-7-9-8(6-10(14)19-9)11-16-4-5-17-11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyYIZMULGHKUQOOV-DTWKUNHWSA-N
MW272.30 g/mol
LogP0.88
Rot. Bonds3

About [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11219495) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID11219495
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
InChIInChI=1S/C13H20O6/c1-13(2,3)12(15)18-7-9-8(6-10(14)19-9)11-16-4-5-17-11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyYIZMULGHKUQOOV-DTWKUNHWSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 11219495) is [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1.
What is the InChIKey of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is YIZMULGHKUQOOV-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H20O6/c1-13(2,3)12(15)18-7-9-8(6-10(14)19-9)11-16-4-5-17-11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 272.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11219495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).