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CAT: 0127-BIPG1680-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1680-02Size:250 mg
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CAS Number
28821-35-4
MDL Number
MFCD29079393
Purity
95%
Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Chemical Information

3,6,9,12,15,18,21,24,27,30,33,36,39,42-Tetradecaoxatetratetracontane-1,44-diol
CAS Number28821-35-4
PubChem CID120062
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC30H62O16
Molecular Weight678.8
XLogP-3.2
Topological Polar Surface Area170
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count43
Heavy Atom Count46
Formal Charge0
Complexity479
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C30H62O16/c31-1-3-33-5-7-35-9-11-37-13-15-39-17-19-41-21-23-43-25-27-45-29-30-46-28-26-44-24-22-42-20-18-40-16-14-38-12-10-36-8-6-34-4-2-32/h31-32H,1-30H2
InChIKey
OWTQQPNDSWCHOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6,9,12,15,18,21,24,27,30,33,36,39,42-Tetradecaoxatetratetracontane-1,44-diol
CAS: 28821-35-4
CID: 120062
Formula: C30H62O16
MW: 678.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight678.8
XLogP3-3.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count43
Exact Mass678.40378589
Monoisotopic Mass678.40378589
Topological Polar Surface Area170 Ų
Heavy Atom Count46
Formal Charge0
Complexity479
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