Ald-Ph-PEG5-t-butyl ester

CAT: 0127-BIPG1026Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1026Size:100 mg

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CAS Number

1433996-83-8

MDL Number

MFCD24539463

Smiles

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOc1ccc(C=O)cc1

Chemical Information

Ald-PEG5-t-butyl ester

CAS Number	1433996-83-8
PubChem CID	77078423
IUPAC Name	tert-butyl 3-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C22H34O8
Molecular Weight	426.5
XLogP	1.6
Topological Polar Surface Area	89.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Heavy Atom Count	30
Formal Charge	0
Complexity	441

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOC1=CC=C(C=C1)C=O

InChI

InChI=1S/C22H34O8/c1-22(2,3)30-21(24)8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-20-6-4-19(18-23)5-7-20/h4-7,18H,8-17H2,1-3H3

InChIKey

QVWIJQYADDDNJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1433996-83-8

CID: 77078423

Formula: C22H34O8

MW: 426.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Exact Mass	426.22536804
Monoisotopic Mass	426.22536804
Topological Polar Surface Area	89.5 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	441
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