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88926-11-8 | [1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)-
CAS No: 88926-11-8 Catalog No: AG0048SG MDL No:
Product Description
Catalog Number:
AG0048SG
Chemical Name:
[1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)-
CAS Number:
88926-11-8
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
2-butanoyl-5-(2,2,6-trimethylcyclohexyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C19H30O3/c1-5-7-14(20)17-15(21)10-13(11-16(17)22)18-12(2)8-6-9-19(18,3)4/h12-13,17-18H,5-11H2,1-4H3
InChI Key:
ZIIYCBGGULPSIA-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1C(=O)CC(CC1=O)C1C(C)CCCC1(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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