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Home > Other Heterocycles > 98367-15-8
98367-15-8 | Bicyclo[3.1.0]hexan-3-one, 2,4-dibutyl-6,6-dimethyl-
CAS No: 98367-15-8 Catalog No: AG005VF3 MDL No:
Product Description
Catalog Number:
AG005VF3
Chemical Name:
Bicyclo[3.1.0]hexan-3-one, 2,4-dibutyl-6,6-dimethyl-
CAS Number:
98367-15-8
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
IUPAC Name:
2,4-dibutyl-6,6-dimethylbicyclo[3.1.0]hexan-3-one
InChI:
InChI=1S/C16H28O/c1-5-7-9-11-13-14(16(13,3)4)12(15(11)17)10-8-6-2/h11-14H,5-10H2,1-4H3
InChI Key:
UQBNGLKTQMIFER-UHFFFAOYSA-N
SMILES:
CCCCC1C(=O)C(C2C1C2(C)C)CCCC
Properties
Complexity:
266
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:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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