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86981-83-1 | Oxirane, 2,2-dimethyl-3-[3-(4-methylphenyl)butyl]-
CAS No: 86981-83-1 Catalog No: AG004NX8 MDL No:
Product Description
Catalog Number:
AG004NX8
Chemical Name:
Oxirane, 2,2-dimethyl-3-[3-(4-methylphenyl)butyl]-
CAS Number:
86981-83-1
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2,2-dimethyl-3-[3-(4-methylphenyl)butyl]oxirane
InChI:
InChI=1S/C15H22O/c1-11-5-8-13(9-6-11)12(2)7-10-14-15(3,4)16-14/h5-6,8-9,12,14H,7,10H2,1-4H3
InChI Key:
LRPLKRKQKKKDBD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(CCC1OC1(C)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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