2,2,4,5-tetraethyl-1,3-dioxolane

C11H22O2 — CID 89360618

IUPAC2,2,4,5-tetraethyl-1,3-dioxolane
SMILESCCC1OC(CC)(CC)OC1CC
InChIInChI=1S/C11H22O2/c1-5-9-10(6-2)13-11(7-3,8-4)12-9/h9-10H,5-8H2,1-4H3
InChIKeyMVMZYPFHVQDMHT-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.11
Rot. Bonds4

About 2,2,4,5-tetraethyl-1,3-dioxolane

2,2,4,5-tetraethyl-1,3-dioxolane (PubChem CID 89360618) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2,4,5-tetraethyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,5-tetraethyl-1,3-dioxolane
PubChem CID89360618
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2,4,5-tetraethyl-1,3-dioxolane
SMILESCCC1OC(CC)(CC)OC1CC
InChIInChI=1S/C11H22O2/c1-5-9-10(6-2)13-11(7-3,8-4)12-9/h9-10H,5-8H2,1-4H3
InChIKeyMVMZYPFHVQDMHT-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetraethyl-1,3-dioxolane?
The IUPAC name of 2,2,4,5-tetraethyl-1,3-dioxolane (CID 89360618) is 2,2,4,5-tetraethyl-1,3-dioxolane.
What is the SMILES notation for 2,2,4,5-tetraethyl-1,3-dioxolane?
The canonical SMILES for 2,2,4,5-tetraethyl-1,3-dioxolane is CCC1OC(CC)(CC)OC1CC.
What is the InChIKey of 2,2,4,5-tetraethyl-1,3-dioxolane?
The InChIKey is MVMZYPFHVQDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-9-10(6-2)13-11(7-3,8-4)12-9/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2,4,5-tetraethyl-1,3-dioxolane?
2,2,4,5-tetraethyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetraethyl-1,3-dioxolane is sourced from PubChem (CID 89360618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).