CAS 179321-49-4|tert-butyl N-(4-oxocyclohexyl)carbamate|tert-Butyl (4-oxocyclohexyl)carbamate|tert-butyl N-(4-oxocyclohexyl)carbamate|4-Aminocyclohexan-1-one, N-BOC protected|1-Oxo-4-[(tert-butoxyca...

General Information

Structure

Molecular Formula

C₁₁H₁₉NO₃

Molecular Mass

213.27346

Exact Mass

213.13649347

Charge

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)

InChIKey

WYVFPGFWUKBXPZ-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)NC1CCC(=O)CC1

Isomeric Smiles

C(=O)(NC1CCC(=O)CC1)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.082359

H Acceptors

H Donor

LogD (pH = 5.5)

1.4866914

LogD (pH = 7.4)

1.4866914

Log P

1.4866914

Molar Refractivity

56.4474

Polarizability

22.264418

Polar Surface Area

55.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tert-butyl N-(4-oxocyclohexyl)carbamate

Synonyms

tert-Butyl (4-oxocyclohexyl)carbamate4-Aminocyclohexan-1-one, N-BOC protected1-Oxo-4-[(tert-butoxycarbonyl)amino]cyclohexanetert-Butyl (4-oxocyclohex-1-yl)carbamatetert-butyl N-(4-oxocyclohexyl)carbamateN-Boc-4-Aminocyclohexanone(4-Oxo-cyclohexyl)-carbamic acid tert-butyl ester

IUPAC Traditional name

tert-butyl N-(4-oxocyclohexyl)carbamate

Names and Identifiers

Registration numbers

PubChem SID

MDL Number

PubChem CID

CAS Number