4,5-diacetyloxolan-2-one

C8H10O4 — CID 70424023

IUPAC4,5-diacetyloxolan-2-one
SMILESCC(=O)C1CC(=O)OC1C(C)=O
InChIInChI=1S/C8H10O4/c1-4(9)6-3-7(11)12-8(6)5(2)10/h6,8H,3H2,1-2H3
InChIKeyFSHMMHSARUZVOI-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.10
Rot. Bonds2

About 4,5-diacetyloxolan-2-one

4,5-diacetyloxolan-2-one (PubChem CID 70424023) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4,5-diacetyloxolan-2-one.

Molecular Properties

Compound Name4,5-diacetyloxolan-2-one
PubChem CID70424023
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4,5-diacetyloxolan-2-one
SMILESCC(=O)C1CC(=O)OC1C(C)=O
InChIInChI=1S/C8H10O4/c1-4(9)6-3-7(11)12-8(6)5(2)10/h6,8H,3H2,1-2H3
InChIKeyFSHMMHSARUZVOI-UHFFFAOYSA-N
XLogP0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diacetyloxolan-2-one?
The IUPAC name of 4,5-diacetyloxolan-2-one (CID 70424023) is 4,5-diacetyloxolan-2-one.
What is the SMILES notation for 4,5-diacetyloxolan-2-one?
The canonical SMILES for 4,5-diacetyloxolan-2-one is CC(=O)C1CC(=O)OC1C(C)=O.
What is the InChIKey of 4,5-diacetyloxolan-2-one?
The InChIKey is FSHMMHSARUZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4(9)6-3-7(11)12-8(6)5(2)10/h6,8H,3H2,1-2H3.
What are the key properties of 4,5-diacetyloxolan-2-one?
4,5-diacetyloxolan-2-one has a molecular weight of 170.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diacetyloxolan-2-one is sourced from PubChem (CID 70424023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).