(3-acetyloxy-1,4-dioxan-2-yl) acetate

C8H12O6 — CID 537894

IUPAC(3-acetyloxy-1,4-dioxan-2-yl) acetate
SMILESCC(=O)OC1OCCOC1OC(C)=O
InChIInChI=1S/C8H12O6/c1-5(9)13-7-8(14-6(2)10)12-4-3-11-7/h7-8H,3-4H2,1-2H3
InChIKeyBEQILXUZIKLZMS-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.19
Rot. Bonds2

About (3-acetyloxy-1,4-dioxan-2-yl) acetate

(3-acetyloxy-1,4-dioxan-2-yl) acetate (PubChem CID 537894) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (3-acetyloxy-1,4-dioxan-2-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-1,4-dioxan-2-yl) acetate
PubChem CID537894
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(3-acetyloxy-1,4-dioxan-2-yl) acetate
SMILESCC(=O)OC1OCCOC1OC(C)=O
InChIInChI=1S/C8H12O6/c1-5(9)13-7-8(14-6(2)10)12-4-3-11-7/h7-8H,3-4H2,1-2H3
InChIKeyBEQILXUZIKLZMS-UHFFFAOYSA-N
XLogP-0.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-1,4-dioxan-2-yl) acetate?
The IUPAC name of (3-acetyloxy-1,4-dioxan-2-yl) acetate (CID 537894) is (3-acetyloxy-1,4-dioxan-2-yl) acetate.
What is the SMILES notation for (3-acetyloxy-1,4-dioxan-2-yl) acetate?
The canonical SMILES for (3-acetyloxy-1,4-dioxan-2-yl) acetate is CC(=O)OC1OCCOC1OC(C)=O.
What is the InChIKey of (3-acetyloxy-1,4-dioxan-2-yl) acetate?
The InChIKey is BEQILXUZIKLZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-5(9)13-7-8(14-6(2)10)12-4-3-11-7/h7-8H,3-4H2,1-2H3.
What are the key properties of (3-acetyloxy-1,4-dioxan-2-yl) acetate?
(3-acetyloxy-1,4-dioxan-2-yl) acetate has a molecular weight of 204.18 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-1,4-dioxan-2-yl) acetate is sourced from PubChem (CID 537894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).