Tert-Butyl n-dodecyl ether

CAT: 0127-OR1051418-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051418-01Size:100 mg

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CAS Number

61548-83-2

MDL Number

MFCD31807280

Purity

95%

Smiles

CCCCCCCCCCCCOC(C)(C)C

Chemical Information

tert-Butyl n-dodecyl ether

CAS Number	61548-83-2
PubChem CID	12285350
IUPAC Name	1-[(2-methylpropan-2-yl)oxy]dodecane
Molecular Formula	C16H34O
Molecular Weight	242.44
XLogP	6.6
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Heavy Atom Count	17
Formal Charge	0
Complexity	146

SMILES

CCCCCCCCCCCCOC(C)(C)C

InChI

InChI=1S/C16H34O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h5-15H2,1-4H3

InChIKey

ZPGDKUJNUNOUME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61548-83-2

CID: 12285350

Formula: C16H34O

MW: 242.44

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.44
XLogP3	6.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	242.260965704
Monoisotopic Mass	242.260965704
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	146
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
OR1013077-01	Dodecyl Ether
OR1078290-01	Tert-Butyl Ethyl Ether
OR59936-01	Tert-Butyl methyl ether
OR1044094-01	Tert-butyl vinyl ether
OR1079649-01	Dodecyl Vinyl Ether
OR1084419-01	Tert-Butyl p-methoxyphenyl ether
OR1043927-01	4-Nitrophenyl dodecyl ether
OR1013073-01	Dodecyl 2-Nitrophenyl Ether
OR937366-01	Dichloromethyl n-butyl ether
OR936968-01	N-Butyl vinyl ether

Catalog	Name
06219-35	N-Butyl Ether
508275-01	Dibutyl Ether AR (n-Butyl ether)
TRC-D435808-500MG	Dichloromethyl N-Butyl Ether
12161445	Di-n-butyl ether
RG-A261141-01	N-Butyl Vinyl Ether
sc-278758	Benzyl n-butyl ether
B28802-01	N-Butyl ether 99%
B29880-01	N-Butyl methyl ether 99%
B28890-01	N-Butyl Ethyl Ether 98%
KAA50396-01	2-Chloroethyl N-butyl ether