tert-butyl N-[(3S,4S)-1-chloro-4-methyl-2-oxohexan-3-yl]carbamate

tert-butyl N-[(3S,4S)-1-chloro-4-methyl-2-oxohexan-3-yl]carbamate

CAS: 161805-78-3

Formula: C12H22ClNO3

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

IUPAC: tert-butyl N-[(3S,4S)-1-chloro-4-methyl-2-oxohexan-3-yl]carbamate

InChI: InChI=1S/C12H22ClNO3/c1-6-8(2)10(9(15)7-13)14-11(16)17-12(3,4)5/h8,10H,6-7H2,1-5H3,(H,14,16)/t8-,10-/m0/s1

Composition: C (54.64%), H (8.41%), Cl (13.44%), N (5.31%), O (18.20%)

Molar Mass: 263.76

Atom Count: 39

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	263.1288213
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SBYKMTUAOVCQGA-WPRPVWTQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.27
Topological Polar Surface Area	55.4
Polarizability	26.68
Ring Count	0
Rotatable Bond Count	7

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