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114136-95-7 | Oxirane, 2-[[[4-(1,1-dimethylethyl)cyclohexyl]oxy]methyl]-
CAS No: 114136-95-7 Catalog No: AG000AMQ MDL No:
Product Description
Catalog Number:
AG000AMQ
Chemical Name:
Oxirane, 2-[[[4-(1,1-dimethylethyl)cyclohexyl]oxy]methyl]-
CAS Number:
114136-95-7
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
2-[(4-tert-butylcyclohexyl)oxymethyl]oxirane
InChI:
InChI=1S/C13H24O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h10-12H,4-9H2,1-3H3
InChI Key:
URQWJYFTERRJDD-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1)OCC1OC1)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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