(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate

C11H20O6 — CID 139334876

IUPAC(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
SMILESCCC(OC(C)=O)C(O)C(COC(C)=O)OC
InChIInChI=1S/C11H20O6/c1-5-9(17-8(3)13)11(14)10(15-4)6-16-7(2)12/h9-11,14H,5-6H2,1-4H3
InChIKeyWUJREKWTLKAQCN-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.27
Rot. Bonds7

About (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate

(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate (PubChem CID 139334876) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
PubChem CID139334876
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
SMILESCCC(OC(C)=O)C(O)C(COC(C)=O)OC
InChIInChI=1S/C11H20O6/c1-5-9(17-8(3)13)11(14)10(15-4)6-16-7(2)12/h9-11,14H,5-6H2,1-4H3
InChIKeyWUJREKWTLKAQCN-UHFFFAOYSA-N
XLogP0.27
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2S,3R,4S)-2,5-diacetyloxy-5-deuterio-3,4-dimethoxypentyl] acetate
CID 15608108
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
(2,3,6-triacetyloxy-6-deuterio-4,5-dimethoxyhexyl) acetate
CID 175460303
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2R,3S,4R,5S)-4,5-diacetyloxy-2,3-dimethoxyhexyl] acetate
CID 175639897
[(2R,3R,4R,5S)-2,3-diacetyloxy-6-cyano-6-hydroxy-4,5-dimethoxyhexyl] acetate
CID 163210243
2,3,4-triacetyloxybutanoic acid
CID 77215762
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438
[(2S,3S,4R)-2-acetamido-3,4-diacetyloxyhexyl] acetate
CID 101222451

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate?
The IUPAC name of (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate (CID 139334876) is (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate.
What is the SMILES notation for (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate?
The canonical SMILES for (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate is CCC(OC(C)=O)C(O)C(COC(C)=O)OC.
What is the InChIKey of (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate?
The InChIKey is WUJREKWTLKAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-5-9(17-8(3)13)11(14)10(15-4)6-16-7(2)12/h9-11,14H,5-6H2,1-4H3.
What are the key properties of (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate?
(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate has a molecular weight of 248.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate is sourced from PubChem (CID 139334876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).