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Home > Other Heterocycles > 85392-40-1
85392-40-1 | BETA-ETHYL-3,3-DIMETHYLBICYCLO[2.2.1]HEPTANE-2-BUTANOL
CAS No: 85392-40-1 Catalog No: AG004TM9 MDL No:
Product Description
Catalog Number:
AG004TM9
Chemical Name:
BETA-ETHYL-3,3-DIMETHYLBICYCLO[2.2.1]HEPTANE-2-BUTANOL
CAS Number:
85392-40-1
Molecular Formula:
C15H28O
Molecular Weight:
224.3822
IUPAC Name:
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbutan-1-ol
InChI:
InChI=1S/C15H28O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h11-14,16H,4-10H2,1-3H3
InChI Key:
HGECOPUKOWSQTP-UHFFFAOYSA-N
SMILES:
CCC(CCC1C2CCC(C1(C)C)C2)CO
EC Number:
286-899-2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.214g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.388g/mol
Monoisotopic Mass:
224.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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