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Home > Other Heterocycles > 84963-30-4
84963-30-4 | 3-Buten-2-one,4-[3,5-dimethyl-7-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
CAS No: 84963-30-4 Catalog No: AG004QKT MDL No:
Product Description
Catalog Number:
AG004QKT
Chemical Name:
3-Buten-2-one,4-[3,5-dimethyl-7-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
CAS Number:
84963-30-4
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
4-(3,5-dimethyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)but-3-en-2-one
InChI:
InChI=1S/C17H26O/c1-10(2)15-9-16-11(3)8-17(15)14(13(16)5)7-6-12(4)18/h6-8,10,13-17H,9H2,1-5H3
InChI Key:
AUQJNSWUHBMLGO-UHFFFAOYSA-N
SMILES:
CC(=O)C=CC1C2C=C(C(C1C)CC2C(C)C)C
EC Number:
284-832-1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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