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Home > Other Heterocycles > 259532-23-5
259532-23-5 | Bicyclo[3.1.1]hept-2-ene, 2-(2-ethoxyethyl)-6,6-dimethyl-
CAS No: 259532-23-5 Catalog No: AG002R6J MDL No:
Product Description
Catalog Number:
AG002R6J
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 2-(2-ethoxyethyl)-6,6-dimethyl-
CAS Number:
259532-23-5
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
2-(2-ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C13H22O/c1-4-14-8-7-10-5-6-11-9-12(10)13(11,2)3/h5,11-12H,4,6-9H2,1-3H3
InChI Key:
BTGKJTKHFJWYAZ-UHFFFAOYSA-N
SMILES:
CCOCCC1=CCC2CC1C2(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| QSAR study of mosquito repellents from terpenoid with a six-member-ring. | Bioorganic & medicinal chemistry letters 20080501 |
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