Benzyl-PEG6-CH2CO2tBu

CAT: 0926-HXC53731-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-HXC53731-01Size:1000 mg

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CAS Number

1807537-31-0

MDL Number

MFCD28142466

Smiles

CC (C) (C) OC (=O) COCCOCCOCCOCCOCCOCC1=CC=CC=C1

Molecular Formula

C23H38O8

Molecular Weight

442.5 g/mol

Controlled

Chemical Information

Benzyl-PEG6-CH2CO2tBu

CAS Number	1807537-31-0
PubChem CID	86276389
IUPAC Name	tert-butyl 2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
Molecular Formula	C23H38O8
Molecular Weight	442.5
XLogP	1.7
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	21
Heavy Atom Count	31
Formal Charge	0
Complexity	418

SMILES

CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCC1=CC=CC=C1

InChI

InChI=1S/C23H38O8/c1-23(2,3)31-22(24)20-30-18-16-28-14-12-26-10-9-25-11-13-27-15-17-29-19-21-7-5-4-6-8-21/h4-8H,9-20H2,1-3H3

InChIKey

HTCCPCCHDIEUTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807537-31-0

CID: 86276389

Formula: C23H38O8

MW: 442.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	442.5
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	21
Exact Mass	442.25666817
Monoisotopic Mass	442.25666817
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	418
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