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

C10H14O6 — CID 11401953

IUPAC[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
InChIInChI=1S/C10H14O6/c1-6(11)15-5-8-7(4-9(12)16-8)10-13-2-3-14-10/h7-8,10H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyMNMDDMBKRIGVEF-JGVFFNPUSA-N
MW230.22 g/mol
LogP-0.15
Rot. Bonds3

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

[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate (PubChem CID 11401953) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
PubChem CID11401953
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)C[C@@H]1C1OCCO1
InChIInChI=1S/C10H14O6/c1-6(11)15-5-8-7(4-9(12)16-8)10-13-2-3-14-10/h7-8,10H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyMNMDDMBKRIGVEF-JGVFFNPUSA-N
XLogP-0.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.15
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 acetate?
The IUPAC name of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate (CID 11401953) is [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate is CC(=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 acetate?
The InChIKey is MNMDDMBKRIGVEF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14O6/c1-6(11)15-5-8-7(4-9(12)16-8)10-13-2-3-14-10/h7-8,10H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate has a molecular weight of 230.22 g/mol, XLogP of -0.15, 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 acetate is sourced from PubChem (CID 11401953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).