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113937-59-0 | Cyclohexane, 1-ethyl-4-(2-methylpropyl)-
CAS No: 113937-59-0 Catalog No: AG000A3N MDL No:
Product Description
Catalog Number:
AG000A3N
Chemical Name:
Cyclohexane, 1-ethyl-4-(2-methylpropyl)-
CAS Number:
113937-59-0
Molecular Formula:
C12H24
Molecular Weight:
168.3190
IUPAC Name:
1-ethyl-4-(2-methylpropyl)cyclohexane
InChI:
InChI=1S/C12H24/c1-4-11-5-7-12(8-6-11)9-10(2)3/h10-12H,4-9H2,1-3H3
InChI Key:
JYLSVNZZYNDWIN-UHFFFAOYSA-N
SMILES:
CCC1CCC(CC1)CC(C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.188g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.324g/mol
Monoisotopic Mass:
168.188g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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