[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate

C10H16O6 — CID 526631

IUPAC[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
SMILESCOCC1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-9-5-14-8(4-13-3)10(9)16-7(2)12/h8-10H,4-5H2,1-3H3
InChIKeyWFFMYHYMXYTKNE-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.10
Rot. Bonds4

About [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate

[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate (PubChem CID 526631) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
PubChem CID526631
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
SMILESCOCC1OCC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-9-5-14-8(4-13-3)10(9)16-7(2)12/h8-10H,4-5H2,1-3H3
InChIKeyWFFMYHYMXYTKNE-UHFFFAOYSA-N
XLogP-0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 175284173
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-propyloxan-3-yl] acetate
CID 173417259
(4-acetyloxy-3,5-dimethoxyoxan-2-yl)methyl acetate
CID 526606
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 91751777
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 131709256
[(2R,3R,4R,5S)-3,4,5-tris[(2-deuterioacetyl)oxy]oxan-2-yl]methyl 2-deuterioacetate
CID 139782838
[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate (CID 526631) is [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate is COCC1OCC(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate?
The InChIKey is WFFMYHYMXYTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)15-9-5-14-8(4-13-3)10(9)16-7(2)12/h8-10H,4-5H2,1-3H3.
What are the key properties of [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate?
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 526631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).