(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate

C11H18O6 — CID 538720

IUPAC(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
SMILESCOC1OC(C)C(OC(C)=O)CC1OC(C)=O
InChIInChI=1S/C11H18O6/c1-6-9(16-7(2)12)5-10(17-8(3)13)11(14-4)15-6/h6,9-11H,5H2,1-4H3
InChIKeyZUGSSIDQXPYBHW-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.63
Rot. Bonds3

About (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate

(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate (PubChem CID 538720) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
PubChem CID538720
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
SMILESCOC1OC(C)C(OC(C)=O)CC1OC(C)=O
InChIInChI=1S/C11H18O6/c1-6-9(16-7(2)12)5-10(17-8(3)13)11(14-4)15-6/h6,9-11H,5H2,1-4H3
InChIKeyZUGSSIDQXPYBHW-UHFFFAOYSA-N
XLogP0.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,6-dimethoxy-2-methyloxan-3-yl) acetate
CID 560332
(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane
CID 88978646
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(3S,4R,5S,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 21307891
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[(2S,3R,4S)-3-acetyloxy-6-bromo-2-methyloxan-4-yl] acetate
CID 10891746
[(2R,3R,5S,6R)-2-acetyloxy-5-azido-6-methyloxan-3-yl] acetate
CID 101123035
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate?
The IUPAC name of (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate (CID 538720) is (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate.
What is the SMILES notation for (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate?
The canonical SMILES for (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate is COC1OC(C)C(OC(C)=O)CC1OC(C)=O.
What is the InChIKey of (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate?
The InChIKey is ZUGSSIDQXPYBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-6-9(16-7(2)12)5-10(17-8(3)13)11(14-4)15-6/h6,9-11H,5H2,1-4H3.
What are the key properties of (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate?
(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate has a molecular weight of 246.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate is sourced from PubChem (CID 538720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).