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114048-89-4 | Cyclohexane, 2-butylidene-1,1-dimethyl-, (E)- (9CI)
CAS No: 114048-89-4 Catalog No: AG000AEU MDL No:
Product Description
Catalog Number:
AG000AEU
Chemical Name:
Cyclohexane, 2-butylidene-1,1-dimethyl-, (E)- (9CI)
CAS Number:
114048-89-4
Molecular Formula:
C12H22
Molecular Weight:
166.3031
IUPAC Name:
2-butylidene-1,1-dimethylcyclohexane
InChI:
InChI=1S/C12H22/c1-4-5-8-11-9-6-7-10-12(11,2)3/h8H,4-7,9-10H2,1-3H3
InChI Key:
JFSTVHWJGVKSMX-UHFFFAOYSA-N
SMILES:
CCC/C=C/1\CCCCC1(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.172g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.308g/mol
Monoisotopic Mass:
166.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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