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Home > Other Heterocycles > 94349-58-3
94349-58-3 | 7-(1-METHOXYETHYL)-2-METHYL-5-(1-METHYLETHYL)BICYCLO[2.2.2]OCT-2-ENE
CAS No: 94349-58-3 Catalog No: AG005Z12 MDL No:
Product Description
Catalog Number:
AG005Z12
Chemical Name:
7-(1-METHOXYETHYL)-2-METHYL-5-(1-METHYLETHYL)BICYCLO[2.2.2]OCT-2-ENE
CAS Number:
94349-58-3
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
7-(1-methoxyethyl)-2-methyl-5-propan-2-ylbicyclo[2.2.2]oct-2-ene
InChI:
InChI=1S/C15H26O/c1-9(2)13-8-14-10(3)6-12(13)7-15(14)11(4)16-5/h6,9,11-15H,7-8H2,1-5H3
InChI Key:
IIXMILIFHJWPEN-UHFFFAOYSA-N
SMILES:
COC(C1CC2C=C(C1CC2C(C)C)C)C
EC Number:
305-177-0
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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