2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane

C14H26O2 — CID 11241627

IUPAC2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane
SMILESCCC1(CC)CC2(CO1)CC(CC)(CC)O2
InChIInChI=1S/C14H26O2/c1-5-12(6-2)9-14(11-15-12)10-13(7-3,8-4)16-14/h5-11H2,1-4H3
InChIKeyCFRQRZKHEWLQAU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.68
Rot. Bonds4

About 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane

2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane (PubChem CID 11241627) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane
PubChem CID11241627
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane
SMILESCCC1(CC)CC2(CO1)CC(CC)(CC)O2
InChIInChI=1S/C14H26O2/c1-5-12(6-2)9-14(11-15-12)10-13(7-3,8-4)16-14/h5-11H2,1-4H3
InChIKeyCFRQRZKHEWLQAU-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane?
The IUPAC name of 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane (CID 11241627) is 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane.
What is the SMILES notation for 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane?
The canonical SMILES for 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane is CCC1(CC)CC2(CO1)CC(CC)(CC)O2.
What is the InChIKey of 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane?
The InChIKey is CFRQRZKHEWLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-12(6-2)9-14(11-15-12)10-13(7-3,8-4)16-14/h5-11H2,1-4H3.
What are the key properties of 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane?
2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane has a molecular weight of 226.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-1,7-dioxaspiro[3.4]octane is sourced from PubChem (CID 11241627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).