4,4,5,5-tetraethyl-1,3-dioxolan-2-one

C11H20O3 — CID 18353917

IUPAC4,4,5,5-tetraethyl-1,3-dioxolan-2-one
SMILESCCC1(CC)OC(=O)OC1(CC)CC
InChIInChI=1S/C11H20O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5-8H2,1-4H3
InChIKeyOOCUXDHBICKNBQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.27
Rot. Bonds4

About 4,4,5,5-tetraethyl-1,3-dioxolan-2-one

4,4,5,5-tetraethyl-1,3-dioxolan-2-one (PubChem CID 18353917) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4,4,5,5-tetraethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5,5-tetraethyl-1,3-dioxolan-2-one
PubChem CID18353917
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4,4,5,5-tetraethyl-1,3-dioxolan-2-one
SMILESCCC1(CC)OC(=O)OC1(CC)CC
InChIInChI=1S/C11H20O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5-8H2,1-4H3
InChIKeyOOCUXDHBICKNBQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetraethyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5,5-tetraethyl-1,3-dioxolan-2-one (CID 18353917) is 4,4,5,5-tetraethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5,5-tetraethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5,5-tetraethyl-1,3-dioxolan-2-one is CCC1(CC)OC(=O)OC1(CC)CC.
What is the InChIKey of 4,4,5,5-tetraethyl-1,3-dioxolan-2-one?
The InChIKey is OOCUXDHBICKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-10(6-2)11(7-3,8-4)14-9(12)13-10/h5-8H2,1-4H3.
What are the key properties of 4,4,5,5-tetraethyl-1,3-dioxolan-2-one?
4,4,5,5-tetraethyl-1,3-dioxolan-2-one has a molecular weight of 200.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 18353917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).