(3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate

C11H18O6 — CID 538724

IUPAC(3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate
SMILESCOC1CC(OC(C)=O)C(OC(C)=O)C(C)O1
InChIInChI=1S/C11H18O6/c1-6-11(17-8(3)13)9(16-7(2)12)5-10(14-4)15-6/h6,9-11H,5H2,1-4H3
InChIKeyYYOUDJJKCIBTNG-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.63
Rot. Bonds3

About (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate

(3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate (PubChem CID 538724) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate
PubChem CID538724
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate
SMILESCOC1CC(OC(C)=O)C(OC(C)=O)C(C)O1
InChIInChI=1S/C11H18O6/c1-6-11(17-8(3)13)9(16-7(2)12)5-10(14-4)15-6/h6,9-11H,5H2,1-4H3
InChIKeyYYOUDJJKCIBTNG-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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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate?
The IUPAC name of (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate (CID 538724) is (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate.
What is the SMILES notation for (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate?
The canonical SMILES for (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate is COC1CC(OC(C)=O)C(OC(C)=O)C(C)O1.
What is the InChIKey of (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate?
The InChIKey is YYOUDJJKCIBTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-6-11(17-8(3)13)9(16-7(2)12)5-10(14-4)15-6/h6,9-11H,5H2,1-4H3.
What are the key properties of (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate?
(3-acetyloxy-6-methoxy-2-methyloxan-4-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 (3-acetyloxy-6-methoxy-2-methyloxan-4-yl) acetate is sourced from PubChem (CID 538724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).