[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate

C9H14O6 — CID 14157591

IUPAC[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OCC1OCOC1COC(C)=O
InChIInChI=1S/C9H14O6/c1-6(10)12-3-8-9(15-5-14-8)4-13-7(2)11/h8-9H,3-5H2,1-2H3
InChIKeyDUMXKXJCNMEPQX-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.15
Rot. Bonds4

About [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate

[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate (PubChem CID 14157591) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
PubChem CID14157591
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
SMILESCC(=O)OCC1OCOC1COC(C)=O
InChIInChI=1S/C9H14O6/c1-6(10)12-3-8-9(15-5-14-8)4-13-7(2)11/h8-9H,3-5H2,1-2H3
InChIKeyDUMXKXJCNMEPQX-UHFFFAOYSA-N
XLogP-0.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[8-(methoxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methyl acetate
CID 166025836
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
CID 11062516
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975

Frequently Asked Questions

What is the IUPAC name of [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate?
The IUPAC name of [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate (CID 14157591) is [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate.
What is the SMILES notation for [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate?
The canonical SMILES for [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate is CC(=O)OCC1OCOC1COC(C)=O.
What is the InChIKey of [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate?
The InChIKey is DUMXKXJCNMEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-6(10)12-3-8-9(15-5-14-8)4-13-7(2)11/h8-9H,3-5H2,1-2H3.
What are the key properties of [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate?
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate has a molecular weight of 218.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate is sourced from PubChem (CID 14157591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).