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1233026-42-0 | 2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-(4-penten-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1233026-42-0 Catalog No: AG000KAP MDL No:
Product Description
Catalog Number:
AG000KAP
Chemical Name:
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-(4-penten-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1233026-42-0
Molecular Formula:
C18H32N2O2
Molecular Weight:
308.4589
IUPAC Name:
tert-butyl 8-pent-4-enyl-2,8-diazaspiro[4.5]decane-2-carboxylate
InChI:
InChI=1S/C18H32N2O2/c1-5-6-7-11-19-12-8-18(9-13-19)10-14-20(15-18)16(21)22-17(2,3)4/h5H,1,6-15H2,2-4H3
InChI Key:
RPPVGQQLIWMNOO-UHFFFAOYSA-N
SMILES:
C=CCCCN1CCC2(CC1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.466g/mol
Monoisotopic Mass:
308.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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