Hexadecyl Ether

CAT: 0127-OR1077946Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1077946Size:25 g

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CAS Number

4113-12-6

Synonyms

Dihexadecyl Ether

MDL Number

MFCD00026650

Purity

>95.0%

Smiles

CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC

Chemical Information

Dicetyl Ether

CAS Number	4113-12-6
PubChem CID	77757
IUPAC Name	1-hexadecoxyhexadecane
Molecular Formula	C32H66O
Molecular Weight	466.9
XLogP	15.6
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	30
Heavy Atom Count	33
Formal Charge	0
Complexity	284

SMILES

CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC

InChI

InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChIKey

FDCJDKXCCYFOCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4113-12-6

CID: 77757

Formula: C32H66O

MW: 466.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	466.9
XLogP3	15.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	30
Exact Mass	466.511366725
Monoisotopic Mass	466.511366725
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487184	Hexadecyl Ether
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QAA96599	Glycidyl hexadecyl ether
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T84280-01	Hexadecyl tetradecanoate
278695-01	Hexadecyl isocyanate
TRC-H290072-500MG	Hexadecyl Acetate
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sc-215144	Hexadecyl Methanethiosulfonate
sc-488379	Hexadecyl Acrylate