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Home > Other Heterocycles > 80336-19-2
80336-19-2 | Bicyclo[2.2.1]hept-2-ene, 5-[[(2-ethylhexyl)oxy]methylene]-
CAS No: 80336-19-2 Catalog No: AG005MK5 MDL No:
Product Description
Catalog Number:
AG005MK5
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 5-[[(2-ethylhexyl)oxy]methylene]-
CAS Number:
80336-19-2
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
5-(2-ethylhexoxymethylidene)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C16H26O/c1-3-5-6-13(4-2)11-17-12-16-10-14-7-8-15(16)9-14/h7-8,12-15H,3-6,9-11H2,1-2H3
InChI Key:
CXFZHXBARJYGDH-UHFFFAOYSA-N
SMILES:
CCCCC(COC=C1CC2CC1C=C2)CC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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