2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one

C11H18O4 — CID 59859675

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one
SMILESCC1OC(C2COC(C)(C)O2)C(=O)C1C
InChIInChI=1S/C11H18O4/c1-6-7(2)14-10(9(6)12)8-5-13-11(3,4)15-8/h6-8,10H,5H2,1-4H3
InChIKeyNYRNIYKOYVETHH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.13
Rot. Bonds1

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one (PubChem CID 59859675) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one
PubChem CID59859675
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one
SMILESCC1OC(C2COC(C)(C)O2)C(=O)C1C
InChIInChI=1S/C11H18O4/c1-6-7(2)14-10(9(6)12)8-5-13-11(3,4)15-8/h6-8,10H,5H2,1-4H3
InChIKeyNYRNIYKOYVETHH-UHFFFAOYSA-N
XLogP1.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one (CID 59859675) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one is CC1OC(C2COC(C)(C)O2)C(=O)C1C.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one?
The InChIKey is NYRNIYKOYVETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-7(2)14-10(9(6)12)8-5-13-11(3,4)15-8/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one has a molecular weight of 214.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one is sourced from PubChem (CID 59859675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).