7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

C17H24O3 — CID 545303

IUPAC7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCC(=O)O2
InChIInChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyZTMZUYHXZPUDRF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.59
Rot. Bonds

About 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 545303) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID545303
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCC(=O)O2
InChIInChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyZTMZUYHXZPUDRF-UHFFFAOYSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (CID 545303) is 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione is CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCC(=O)O2.
What is the InChIKey of 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is ZTMZUYHXZPUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione?
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 276.38 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 545303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).