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2-O-Dodecylglycerol

CAT: 0926-FD172063-01Size: 0.025 gDry Ice: NoHazardous: No
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CAT#:0926-FD172063-01Size:0.025 g
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CAS Number
17174-67-3
Synonyms
2- (Dodecyloxy) -1,3-propanediol
Smiles
OCC (CO) OCCCCCCCCCCCC
Molecular Formula
C15H32O3
Molecular Weight
260.41 g/mol
Controlled
No

Chemical Information

2-O-Dodecylglycerol
CAS Number17174-67-3
PubChem CID13588804
IUPAC Name2-dodecoxypropane-1,3-diol
Molecular FormulaC15H32O3
Molecular Weight260.41
XLogP4.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity147
SMILES
CCCCCCCCCCCCOC(CO)CO
InChI
InChI=1S/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(13-16)14-17/h15-17H,2-14H2,1H3
InChIKey
JQEXFBVEZTYNAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-O-Dodecylglycerol
CAS: 17174-67-3
CID: 13588804
Formula: C15H32O3
MW: 260.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.41
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass260.23514488
Monoisotopic Mass260.23514488
Topological Polar Surface Area49.7 Ų
Heavy Atom Count18
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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sc-280283A2-O-Dodecylglycerol
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