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250784-99-7 | 2-Cyclohexen-1-one, 3-(trans-4-butylcyclohexyl)-6-propyl-
CAS No: 250784-99-7 Catalog No: AG002QEK MDL No:
Product Description
Catalog Number:
AG002QEK
Chemical Name:
2-Cyclohexen-1-one, 3-(trans-4-butylcyclohexyl)-6-propyl-
CAS Number:
250784-99-7
Molecular Formula:
C19H32O
Molecular Weight:
276.4568
IUPAC Name:
3-(4-butylcyclohexyl)-6-propylcyclohex-2-en-1-one
InChI:
InChI=1S/C19H32O/c1-3-5-7-15-8-10-16(11-9-15)18-13-12-17(6-4-2)19(20)14-18/h14-17H,3-13H2,1-2H3
InChI Key:
RVPVNHRAONUQKP-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)C1=CC(=O)C(CC1)CCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.245g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.464g/mol
Monoisotopic Mass:
276.245g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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