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Tert-Butyl-hexanedioic acid

CAT: 0013-GTR19276317-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276317-01Size:10 mg
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Description
Tert-Butyl-hexanedioic acid is a PROTAC linker. It can be used in the synthesis of PROTAC molecules, such as [PROTACERα Degrader-12].
CAS Number
52221-07-5
Smiles
O=C (O) CCCCC (=O) OC (C) (C) C
Molecular Formula
C10H18O4
Molecular Weight
202.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(Tert-butoxy)-6-oxohexanoic acid
CAS Number52221-07-5
PubChem CID15908937
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP1.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity203
SMILES
CC(C)(C)OC(=O)CCCCC(=O)O
InChI
InChI=1S/C10H18O4/c1-10(2,3)14-9(13)7-5-4-6-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKey
SNOPFBNMUDQLMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Tert-butoxy)-6-oxohexanoic acid
CAS: 52221-07-5
CID: 15908937
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity203
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

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Alternative Products

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HY-W088749Tert-Butyl-hexanedioic acid
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241913-01S-Fmoc-2-amino-5-tert-butoxycarbonyl-hexanedioic acid-6-tert-butyl ester ≥97% (HPLC)
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