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Home > Other Heterocycles > 80336-21-6
80336-21-6 | Bicyclo[2.2.1]hept-2-ene, 5-[[(3,4,5-trimethylhexyl)oxy]methylene]-
CAS No: 80336-21-6 Catalog No: AG0053NJ MDL No:
Product Description
Catalog Number:
AG0053NJ
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 5-[[(3,4,5-trimethylhexyl)oxy]methylene]-
CAS Number:
80336-21-6
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
IUPAC Name:
5-(3,4,5-trimethylhexoxymethylidene)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C17H28O/c1-12(2)14(4)13(3)7-8-18-11-17-10-15-5-6-16(17)9-15/h5-6,11-16H,7-10H2,1-4H3
InChI Key:
RIYXDGSCZOFQGK-UHFFFAOYSA-N
SMILES:
CC(C(C(C)C)C)CCOC=C1CC2CC1C=C2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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