CAS
92297-75-1 Purity
96%
92297-75-1 Purity
96%
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tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate
CAS
923009-54-5
Catalog Number
ACM923009545
Category
Other Products
Molecular Weight
268.355
Molecular Formula
C14H24N2O3
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Specification
Synonyms
923009-54-5, tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate, 2,8-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLIC ACID, 7-OXO-, 1,1-DIMETHYLETHYL ESTER, SureCN1207913, MolPort-003-985-666, AKOS015949390, RP07792, KB-18520, FT-0685070, Y4713, tert-butyl 7-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate, 2,8-Diazaspiro[5.5]undecane-2-carboxylic acid,7-oxo-,1,1-dimethyl ethyl ester
IUPAC Name
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCCNC2=O
InChI Key
BCWUGEIFXRKYMP-UHFFFAOYSA-N
Boiling Point
438ºC at 760 mmHg
Flash Point
218.7ºC
Density
1.13g/cm³
Exact Mass
268.17900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The molecular formula is C14H24N2O3.
What is the molecular weight of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The molecular weight is 268.35 g/mol.
What is the IUPAC Name of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The IUPAC Name is tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate.
What is the InChI of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-5-7-14(10-16)6-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17).
What is the InChIKey of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The InChIKey is BCWUGEIFXRKYMP-UHFFFAOYSA-N.
What is the Canonical SMILES of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The Canonical SMILES is CC(C)(C)OC(=O)N1CCCC2(C1)CCCNC2=O.
What is the XLogP3-AA value of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The XLogP3-AA value is 1.2.
How many hydrogen bond donor counts does tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate?
The topological polar surface area is 58.6 Ų.
Is tert-Butyl 5-oxo-4,10-diazaspiro[5.5]undecane-10-carboxylate a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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