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20519-68-0 | Cyclohexanone, 4-[1-ethyl-2-(4-hydroxycyclohexyl)butyl]-
CAS No: 20519-68-0 Catalog No: AG0029XQ MDL No:
Product Description
Catalog Number:
AG0029XQ
Chemical Name:
Cyclohexanone, 4-[1-ethyl-2-(4-hydroxycyclohexyl)butyl]-
CAS Number:
20519-68-0
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
4-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-one
InChI:
InChI=1S/C18H32O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-15,17-19H,3-12H2,1-2H3
InChI Key:
KVNFPGXPSIORTH-UHFFFAOYSA-N
SMILES:
CCC(C(C1CCC(CC1)O)CC)C1CCC(=O)CC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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