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Home > Other Heterocycles > 94213-57-7
94213-57-7 | 2-[8-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCT-5-EN-2-YL]-1,3-DIOXOLANE
CAS No: 94213-57-7 Catalog No: AG0065WI MDL No:
Product Description
Catalog Number:
AG0065WI
Chemical Name:
2-[8-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCT-5-EN-2-YL]-1,3-DIOXOLANE
CAS Number:
94213-57-7
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
2-(5-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)-1,3-dioxolane
InChI:
InChI=1S/C15H24O2/c1-9(2)12-7-11-6-10(3)13(12)8-14(11)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3
InChI Key:
MKFWRLZVXHMRGW-UHFFFAOYSA-N
SMILES:
CC1=CC2CC(C1CC2C1OCCO1)C(C)C
EC Number:
303-762-5
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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