[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate

C8H10O6 — CID 139844221

IUPAC[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
SMILESCC(=O)OC1CC(C2COC(=O)O2)O1
InChIInChI=1S/C8H10O6/c1-4(9)12-7-2-5(13-7)6-3-11-8(10)14-6/h5-7H,2-3H2,1H3
InChIKeyXCOKSOKKZHLVBE-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.20
Rot. Bonds2

About [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate

[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate (PubChem CID 139844221) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate.

Molecular Properties

Compound Name[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
PubChem CID139844221
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
SMILESCC(=O)OC1CC(C2COC(=O)O2)O1
InChIInChI=1S/C8H10O6/c1-4(9)12-7-2-5(13-7)6-3-11-8(10)14-6/h5-7H,2-3H2,1H3
InChIKeyXCOKSOKKZHLVBE-UHFFFAOYSA-N
XLogP0.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1,3-dioxolan-4-yl) 2-methylbut-2-enoate
CID 68583941
[(6R,7S,7aS)-6-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] hydrogen carbonate
CID 166083192
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
CID 164917808
(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
CID 153224535
2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)
CID 69164105
(2-oxo-1,3-dioxolan-4-yl) 2-methylhept-2-enoate
CID 175124865
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl] acetate
CID 129391816
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
[(2R,3R,4S,5R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[(4R)-2-oxo-1,3-dioxolan-4-yl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 11123163
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate?
The IUPAC name of [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate (CID 139844221) is [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate.
What is the SMILES notation for [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate?
The canonical SMILES for [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate is CC(=O)OC1CC(C2COC(=O)O2)O1.
What is the InChIKey of [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate?
The InChIKey is XCOKSOKKZHLVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-4(9)12-7-2-5(13-7)6-3-11-8(10)14-6/h5-7H,2-3H2,1H3.
What are the key properties of [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate?
[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate has a molecular weight of 202.16 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate is sourced from PubChem (CID 139844221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).