Products for Research Use Only
RegisterLogin

Triethyl-a-cyclodextrin

CAT: 0926-OT44663-03Size: 1000 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-OT44663-03Size:1000 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
145454-97-3
Synonyms
Hexakis- (2,3,6-tri-O-ethyl) -a-cyclodextrin
Smiles
CCOCC1C2C (C (C (O1) OC3C (OC (C (C3OCC) OCC) OC4C (OC (C (C4OCC) OCC) OC5C (OC (C (C5OCC) OCC) OC6C (OC (C (C6OCC) OCC) OC7C (OC (O2) C (C7OCC) OCC) COCC) COCC) COCC) COCC) COCC) OCC) OCC
Molecular Formula
C72H132O30
Molecular Weight
1,477.8 g/mol
Controlled
No

Chemical Information

Triethyl-a-cyclodextrin
CAS Number145454-97-3
PubChem CID163304479
IUPAC Name31,32,33,34,35,36,37,38,39,40,41,42-dodecaethoxy-5,10,15,20,25,30-hexakis(ethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane
Molecular FormulaC72H132O30
Molecular Weight1477.8
XLogP3.4
Topological Polar Surface Area277
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count30
Rotatable Bond Count42
Heavy Atom Count102
Formal Charge0
Complexity1780
SMILES
CCOCC1C2C(C(C(O1)OC3C(OC(C(C3OCC)OCC)OC4C(OC(C(C4OCC)OCC)OC5C(OC(C(C5OCC)OCC)OC6C(OC(C(C6OCC)OCC)OC7C(OC(O2)C(C7OCC)OCC)COCC)COCC)COCC)COCC)COCC)OCC)OCC
InChI
InChI=1S/C72H132O30/c1-19-73-37-43-49-55(79-25-7)61(85-31-13)67(91-43)98-50-44(38-74-20-2)93-69(63(87-33-15)56(50)80-26-8)100-52-46(40-76-22-4)95-71(65(89-35-17)58(52)82-28-10)102-54-48(42-78-24-6)96-72(66(90-36-18)60(54)84-30-12)101-53-47(41-77-23-5)94-70(64(88-34-16)59(53)83-29-11)99-51-45(39-75-21-3)92-68(97-49)62(86-32-14)57(51)81-27-9/h43-72H,19-42H2,1-18H3
InChIKey
UGUMURBXJADHPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triethyl-a-cyclodextrin
CAS: 145454-97-3
CID: 163304479
Formula: C72H132O30
MW: 1477.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1477.8
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count30
Rotatable Bond Count42
Exact Mass1476.88034279
Monoisotopic Mass1476.88034279
Topological Polar Surface Area277 Ų
Heavy Atom Count102
Formal Charge0
Complexity1780
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count30
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OC06645-01δ-Cyclodextrin
OC06644-01A-Cyclodextrin
OA46500-01Acetyl-β-cyclodextrin
OC12106-01Gamma-Cyclodextrin
OC156903-01Carboxymethyl-β-cyclodextrin
FC39353-01γ-Cyclodextrin hydrate
OS34074-01Succinyl-β-cyclodextrin
OC06646-01Beta-Cyclodextrin
OS34950-01Succinyl-a-cyclodextrin
FT33651-01Triethyl borate

Alternative Products

CatalogName
297855-012,3,6-Triethyl-gamma-cyclodextrin
C8475-11-01β-Cyclodextrin, Hydroxypropyl (Hydroxypropyl-ß-cyclodextrin)
HY-B1513-01α-Cyclodextrin
sc-208516Aγ-Cyclodextrin
sc-204430β-Cyclodextrin
3625â-CYCLODEXTRIN

Popular Products