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Home > Other Heterocycles > 115562-89-5
115562-89-5 | Bicyclo[3.1.0]hexane, 4-methoxy-4-methyl-1-(1-methylethyl)-
CAS No: 115562-89-5 Catalog No: AG000G5S MDL No:
Product Description
Catalog Number:
AG000G5S
Chemical Name:
Bicyclo[3.1.0]hexane, 4-methoxy-4-methyl-1-(1-methylethyl)-
CAS Number:
115562-89-5
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
4-methoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H20O/c1-8(2)11-6-5-10(3,12-4)9(11)7-11/h8-9H,5-7H2,1-4H3
InChI Key:
SCWGDYORLGVQND-UHFFFAOYSA-N
SMILES:
COC1(C)CCC2(C1C2)C(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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