200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1379797-42-8
1379797-42-8 | tert-butyl N-[(1R,2S,5S)-6,6-dimethyl-2-(2-oxoethyl)bicyclo[3.1.1]heptan-2-yl]carbamate
CAS No: 1379797-42-8 Catalog No: AG00IU9P MDL No:MFCD23097099
Product Description
Catalog Number:
AG00IU9P
Chemical Name:
tert-butyl N-[(1R,2S,5S)-6,6-dimethyl-2-(2-oxoethyl)bicyclo[3.1.1]heptan-2-yl]carbamate
CAS Number:
1379797-42-8
Molecular Formula:
C16H27NO3
Molecular Weight:
281.3905
MDL Number:
MFCD23097099
IUPAC Name:
tert-butyl N-[(1R,2S,5S)-6,6-dimethyl-2-(2-oxoethyl)-2-bicyclo[3.1.1]heptanyl]carbamate
InChI:
InChI=1S/C16H27NO3/c1-14(2,3)20-13(19)17-16(8-9-18)7-6-11-10-12(16)15(11,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,19)/t11-,12+,16-/m0/s1
InChI Key:
KXCBNLCSEZKOKY-OZVIIMIRSA-N
SMILES:
O=CC[C@]1(CC[C@H]2C[C@@H]1C2(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
281.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.396g/mol
Monoisotopic Mass:
281.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.