8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

C17H26O3 — CID 166449291

IUPAC8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCCO2
InChIInChI=1S/C17H26O3/c1-15(2,3)12-10-17(19-8-7-9-20-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOSKPTTPPFFABBM-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.65
Rot. Bonds

About 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 166449291) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID166449291
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCCO2
InChIInChI=1S/C17H26O3/c1-15(2,3)12-10-17(19-8-7-9-20-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOSKPTTPPFFABBM-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-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 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 166449291) is 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)OCCCO2.
What is the InChIKey of 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is OSKPTTPPFFABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-15(2,3)12-10-17(19-8-7-9-20-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 278.39 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-ditert-butyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 166449291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).