(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate

C10H16O5 — CID 58434487

IUPAC(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate
SMILESCC(=O)OC1OC(C)C(C)C1OC(C)=O
InChIInChI=1S/C10H16O5/c1-5-6(2)13-10(15-8(4)12)9(5)14-7(3)11/h5-6,9-10H,1-4H3
InChIKeyHWYNLAPPMXCSMD-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.86
Rot. Bonds2

About (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate

(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate (PubChem CID 58434487) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate
PubChem CID58434487
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate
SMILESCC(=O)OC1OC(C)C(C)C1OC(C)=O
InChIInChI=1S/C10H16O5/c1-5-6(2)13-10(15-8(4)12)9(5)14-7(3)11/h5-6,9-10H,1-4H3
InChIKeyHWYNLAPPMXCSMD-UHFFFAOYSA-N
XLogP0.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate?
The IUPAC name of (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate (CID 58434487) is (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate.
What is the SMILES notation for (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate?
The canonical SMILES for (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate is CC(=O)OC1OC(C)C(C)C1OC(C)=O.
What is the InChIKey of (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate?
The InChIKey is HWYNLAPPMXCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-6(2)13-10(15-8(4)12)9(5)14-7(3)11/h5-6,9-10H,1-4H3.
What are the key properties of (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate?
(2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate has a molecular weight of 216.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-4,5-dimethyloxolan-3-yl) acetate is sourced from PubChem (CID 58434487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).