Propargyl-PEG6-t-butyl ester

CAT: 0926-FEC19795Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FEC19795Size:1000 mg

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CAS Number

1355197-95-3

MDL Number

MFCD28950777

Smiles

CC (C) (C) OC (=O) CCOCCOCCOCCOCCOCCOCC#C

Molecular Formula

C20H36O8

Molecular Weight

404.5 g/mol

Controlled

Chemical Information

Propargyl-PEG6-t-butyl ester

CAS Number	1355197-95-3
PubChem CID	87427645
IUPAC Name	tert-butyl 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C20H36O8
Molecular Weight	404.5
XLogP	0.3
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	21
Heavy Atom Count	28
Formal Charge	0
Complexity	410

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCC#C

InChI

InChI=1S/C20H36O8/c1-5-7-22-9-11-24-13-15-26-17-18-27-16-14-25-12-10-23-8-6-19(21)28-20(2,3)4/h1H,6-18H2,2-4H3

InChIKey

QNWQLRBFWIUOKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1355197-95-3

CID: 87427645

Formula: C20H36O8

MW: 404.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	404.5
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	21
Exact Mass	404.24101810
Monoisotopic Mass	404.24101810
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	410
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
HXC50380-01	Propargyl-PEG2-t-butyl ester
NUA15084-01	Propargyl-PEG1-t-butyl ester
LPA18964-01	Hydroxy-PEG6-t-butyl ester
MAC99152-01	T-Boc-N-amido-PEG6-propargyl
QEC65590-01	Chloroacetamido-PEG4-t-butyl ester
KYC75985-01	Acid-PEG4-t-butyl ester
QGC80041-01	Azide-PEG5-t-butyl ester
WPC61614-01	Methylamino-PEG4-t-butyl ester
HXC53733-01	Bromoacetamido-PEG3-t-butyl ester
HXC53906-01	Acid-PEG3-t-butyl ester