(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate

C10H16O6 — CID 142113480

IUPAC(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(OC(C)=O)C(O)O1
InChIInChI=1S/C10H16O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h8-10,13H,3-5H2,1-2H3
InChIKeyCJJALUPDYFFULR-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.02
Rot. Bonds3

About (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate

(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate (PubChem CID 142113480) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
PubChem CID142113480
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(OC(C)=O)C(O)O1
InChIInChI=1S/C10H16O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h8-10,13H,3-5H2,1-2H3
InChIKeyCJJALUPDYFFULR-UHFFFAOYSA-N
XLogP-0.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
ethane;(5-propan-2-yloxolan-2-yl)methyl acetate
CID 142391715
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate?
The IUPAC name of (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate (CID 142113480) is (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate.
What is the SMILES notation for (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate?
The canonical SMILES for (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate is CC(=O)OCC1CCC(OC(C)=O)C(O)O1.
What is the InChIKey of (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate?
The InChIKey is CJJALUPDYFFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)14-5-8-3-4-9(10(13)16-8)15-7(2)12/h8-10,13H,3-5H2,1-2H3.
What are the key properties of (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate?
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate has a molecular weight of 232.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 142113480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).