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Oxaspiro

CAT: 1596-AR-I03006-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03006-04Size:250 Units
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CAS Number
82304-66-3
Synonyms
7,9-Bis (1,1-dimethylethyl) -1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
Molecular Formula
C17H24O3
Molecular Weight
276.38
API Name
Irganox

Chemical Information

7,9-Di-tert-butyl-1-oxaspiro(4.5)deca-6,9-diene-2,8-dione

7,9-di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione is an oxaspiro compound that is 1-oxaspiro[4.5]deca-6,9-diene-2,8-dione carrying two additional tert-butyl substituents at positions 7 and 9. It is a lactone, an oxaspiro compound, a cyclic ketone and an enone.

CAS Number82304-66-3
PubChem CID545303
IUPAC Name7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
Molecular FormulaC17H24O3
Molecular Weight276.4
XLogP3.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity487
SMILES
CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C
InChI
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
InChIKey
ZTMZUYHXZPUDRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,9-Di-tert-butyl-1-oxaspiro(4.5)deca-6,9-diene-2,8-dione
CAS: 82304-66-3
CID: 545303
Formula: C17H24O3
MW: 276.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.17254462
Monoisotopic Mass276.17254462
Topological Polar Surface Area43.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
OR1049528-011-Oxaspiro[2.4]heptane
AAA18570-011-Oxaspiro[2.5]octane
sc-2734301-oxaspiro[2.6]nonane
TEC18123-015-Oxaspiro[3.5]nonan-8-ol
ZAA44647-011-Oxaspiro[2.5]octane-2-carboxamide
SSB24924-011-Oxaspiro[5.5]undecan-9-one
XZC68159-016- (Bromomethyl) -5-oxaspiro[3.5]nonane
XAA92953-011-Oxaspiro[4.5]decan-4-one
FFC38910-018-Oxaspiro[4.5]decan-1-one
IBA44880-011-Oxaspiro[4.4]nonan-2-one

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