2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one

C11H16O3 — CID 54445682

IUPAC2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C)C1=O)OC(C)O2
InChIInChI=1S/C11H16O3/c1-7-5-11(13-8(2)14-11)6-10(3,4)9(7)12/h5,8H,6H2,1-4H3
InChIKeyWRIJHWOMDBASDF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.02
Rot. Bonds

About 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one

2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one (PubChem CID 54445682) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one
PubChem CID54445682
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C)C1=O)OC(C)O2
InChIInChI=1S/C11H16O3/c1-7-5-11(13-8(2)14-11)6-10(3,4)9(7)12/h5,8H,6H2,1-4H3
InChIKeyWRIJHWOMDBASDF-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one 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 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one?
The IUPAC name of 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one (CID 54445682) is 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one is CC1=CC2(CC(C)(C)C1=O)OC(C)O2.
What is the InChIKey of 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one?
The InChIKey is WRIJHWOMDBASDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-11(13-8(2)14-11)6-10(3,4)9(7)12/h5,8H,6H2,1-4H3.
What are the key properties of 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one?
2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one has a molecular weight of 196.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,8-tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 54445682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).