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

C10H14O6 — CID 20816435

IUPAC[3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(=O)CC1C1OCCO1
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
InChIKeyMNMDDMBKRIGVEF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.15
Rot. Bonds3

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

[3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate (PubChem CID 20816435) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
PubChem CID20816435
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(=O)CC1C1OCCO1
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
InChIKeyMNMDDMBKRIGVEF-UHFFFAOYSA-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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Related Compounds

[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)methyl acetate
CID 74025048
[(3aR,4R,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 23239991
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(3aR,4R,5S,6aR)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 14184165
[(3aR,4R,5R,6aS)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 11184409
[(1R,18S,20R,21S,22R)-21,22-diacetyloxy-2,5,8,11,14,17,19-heptaoxabicyclo[16.2.2]docosan-20-yl]methyl acetate
CID 10097769
2-[[(2R,3S)-3-formyl-5-oxooxolan-2-yl]methyl]prop-2-enyl acetate
CID 101135629
2-[(2S,3S)-2-(iodomethyl)-5-oxooxolan-3-yl]ethyl acetate
CID 56957630
[(2R,3R,4R,4aS,8aR)-3,4-diacetyloxy-6-oxo-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl acetate
CID 132565621
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
The IUPAC name of [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate (CID 20816435) is [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate is CC(=O)OCC1OC(=O)CC1C1OCCO1.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
The InChIKey is MNMDDMBKRIGVEF-UHFFFAOYSA-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.
What are the key properties of [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate?
[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 [3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl acetate is sourced from PubChem (CID 20816435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).