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Home > Other Heterocycles > 2060059-21-2
2060059-21-2 | 4'-tert-butyl-3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]
CAS No: 2060059-21-2 Catalog No: AG01BZOE MDL No:MFCD30488778
Product Description
Catalog Number:
AG01BZOE
Chemical Name:
4'-tert-butyl-3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]
CAS Number:
2060059-21-2
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
MDL Number:
MFCD30488778
IUPAC Name:
4'-tert-butylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
InChI:
InChI=1S/C16H28O/c1-15(2,3)14-5-8-16(9-6-14)7-4-12-10-13(12)11-17-16/h12-14H,4-11H2,1-3H3
InChI Key:
PABQVXCTTAFBMR-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(CC1)CCC1C(CO2)C1)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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