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116549-08-7 | Ethanol, 2-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-
CAS No: 116549-08-7 Catalog No: AG000CSK MDL No:
Product Description
Catalog Number:
AG000CSK
Chemical Name:
Ethanol, 2-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-
CAS Number:
116549-08-7
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
2-(4-tert-butylcyclohexyl)oxyethanol
InChI:
InChI=1S/C12H24O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h10-11,13H,4-9H2,1-3H3
InChI Key:
AUDDQSZTLCWZDZ-UHFFFAOYSA-N
SMILES:
OCCOC1CCC(CC1)C(C)(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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