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Tert-butyl 6-hydroxyhexanoate

CAT: 0931-T84097Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T84097Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73839-20-0
Target
Others
Related Pathways
Others
Purity
≥98%
Bioactivity
Tert-butyl 6-hydroxyhexanoate (BHH) is an initiator for the preparation of α-tert-butyloxycarbonylω-hydroxyheterobifunctional poly (ε-caprolactone) (PCL) and poly (δ-valerolactone) PVL.
Smiles
OCCCCCC(=O)OC(C)(C)C
Molecular Formula
C10H20O3
Molecular Weight
188.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

t-Butyl 6-hydroxyhexanoate
CAS Number73839-20-0
PubChem CID13490264
IUPAC Nametert-butyl 6-hydroxyhexanoate
Molecular FormulaC10H20O3
Molecular Weight188.26
XLogP1.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
CC(C)(C)OC(=O)CCCCCO
InChI
InChI=1S/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChIKey
AKNVIQFNWMMKEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Butyl 6-hydroxyhexanoate
CAS: 73839-20-0
CID: 13490264
Formula: C10H20O3
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass188.14124450
Monoisotopic Mass188.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
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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CatalogName
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