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Home > Other Heterocycles > 93840-85-8
93840-85-8 | Bicyclo[2.2.1]heptane, 2-(4-methoxybutylidene)-1,3,3-trimethyl-
CAS No: 93840-85-8 Catalog No: AG006CU3 MDL No:
Product Description
Catalog Number:
AG006CU3
Chemical Name:
Bicyclo[2.2.1]heptane, 2-(4-methoxybutylidene)-1,3,3-trimethyl-
CAS Number:
93840-85-8
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
(2Z)-2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C15H26O/c1-14(2)12-8-9-15(3,11-12)13(14)7-5-6-10-16-4/h7,12H,5-6,8-11H2,1-4H3/b13-7+
InChI Key:
XMLQMWOIFMVPFQ-NTUHNPAUSA-N
SMILES:
COCCCC=C1C2(C)CCC(C1(C)C)C2
EC Number:
298-952-7
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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