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Home > Other Heterocycles > 86843-18-7
86843-18-7 | Bicyclo[3.1.1]heptane, 3-ethoxy-6,6-dimethyl-2-methylene-
CAS No: 86843-18-7 Catalog No: AG004MEM MDL No:
Product Description
Catalog Number:
AG004MEM
Chemical Name:
Bicyclo[3.1.1]heptane, 3-ethoxy-6,6-dimethyl-2-methylene-
CAS Number:
86843-18-7
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
3-ethoxy-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
InChI:
InChI=1S/C12H20O/c1-5-13-11-7-9-6-10(8(11)2)12(9,3)4/h9-11H,2,5-7H2,1,3-4H3
InChI Key:
QTVKWSUCRZGABX-UHFFFAOYSA-N
SMILES:
CCOC1CC2CC(C1=C)C2(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/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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