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Home > Other Heterocycles > 651706-43-3
651706-43-3 | 7-Oxabicyclo[4.1.0]heptane, 5-(3,3-dimethylbutylidene)-1-methyl-
CAS No: 651706-43-3 Catalog No: AG006Q0V MDL No:
Product Description
Catalog Number:
AG006Q0V
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 5-(3,3-dimethylbutylidene)-1-methyl-
CAS Number:
651706-43-3
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
5-(3,3-dimethylbutylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C13H22O/c1-12(2,3)9-7-10-6-5-8-13(4)11(10)14-13/h7,11H,5-6,8-9H2,1-4H3
InChI Key:
WLHSSLZVZWTWLM-UHFFFAOYSA-N
SMILES:
CC(CC=C1CCCC2(C1O2)C)(C)C
Properties
Complexity:
259
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:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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