tert-butyl N-[(1r,4r)-4-acetylcyclohexyl]carbamate

tert-butyl N-[(1r,4r)-4-acetylcyclohexyl]carbamate

CAS: 1198355-02-0

Formula: C13H23NO3

SMILES: CC(=O)[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(1r,4r)-4-acetylcyclohexyl]carbamate

InChI: InChI=1/C13H23NO3/c1-9(15)10-5-7-11(8-6-10)14-12(16)17-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-

Composition: C (64.70%), H (9.61%), N (5.80%), O (19.89%)

Molar Mass: 241.331

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	241.167793605
Formal Charge	0
FSP3	0.85
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AYDMRXYIKDXUBB-XYPYZODXNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.6
Topological Polar Surface Area	55.4
Polarizability	25.93
Ring Count	1
Rotatable Bond Count	4

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