Bis-PEG4-t-butyl ester

CAT: 0127-OR1039448-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1039448-01Size:100 mg

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CAS Number

2100306-53-2

MDL Number

MFCD28096679

Purity

97%

Smiles

O=C(OC(C)(C)C)CCOCCOCCOCCOCCC(OC(C)(C)C)=O

Chemical Information

Bis-PEG4-t-butyl ester

CAS Number	2100306-53-2
PubChem CID	118796280
IUPAC Name	tert-butyl 3-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C20H38O8
Molecular Weight	406.5
XLogP	1.3
Topological Polar Surface Area	89.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Heavy Atom Count	28
Formal Charge	0
Complexity	383

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H38O8/c1-19(2,3)27-17(21)7-9-23-11-13-25-15-16-26-14-12-24-10-8-18(22)28-20(4,5)6/h7-16H2,1-6H3

InChIKey

BEMRKFMWPQHBBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2100306-53-2

CID: 118796280

Formula: C20H38O8

MW: 406.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.5
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Exact Mass	406.25666817
Monoisotopic Mass	406.25666817
Topological Polar Surface Area	89.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	383
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
HY-132067-01	Bis-PEG4-t-butyl ester
571899	NH-bis(PEG4-t-butyl ester)
RG-E140351-01	Nh-bis (peg4-t-butyl ester)
T16196-01	N- (Azido-PEG4) -N-bis (PEG4-t-butyl ester)
MBS5769589	N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester)
T18413-01	N-Desthiobiotin-N-bis (PEG4-t-butyl ester)
572637	N-Me-N-bis(PEG4-t-butyl ester)
MBS5771272	N-Desthiobiotin-N-bis(PEG4-t-butyl ester)
HXC52100	Bromoacetamido-PEG4-t-butyl ester
573026	Ms-PEG4-t-butyl ester