Name: Name:tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate
Brand: Angene
SKU: AG01B4V7
Rating: 90 (10 reviews)

tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate

CAS No.:

2031260-97-4

Catalog Number:

AG01B4V7

Molecular Formula:

C13H23NO3

Molecular Weight:

241.3266

Catalog Number:

AG01B4V7

Chemical Name:

tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate

CAS Number:

2031260-97-4

Molecular Formula:

C13H23NO3

Molecular Weight:

241.3266

MDL Number:

MFCD30345526

IUPAC Name:

tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate

InChI:

InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-10(15)8-13(4,5)9-14/h6-9H2,1-5H3

InChI Key:

HSWICCNIMXTPPT-UHFFFAOYSA-N

SMILES:

O=C1CCN(CC(C1)(C)C)C(=O)OC(C)(C)C

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.331g/mol

Monoisotopic Mass:

241.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8