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Home > Other Heterocycles > 70636-91-8
70636-91-8 | 2,6,7-Trioxabicyclo[2.2.2]octane,4-butyl-1-(1-methylethyl)-
CAS No: 70636-91-8 Catalog No: AG0066NK MDL No:
Product Description
Catalog Number:
AG0066NK
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,4-butyl-1-(1-methylethyl)-
CAS Number:
70636-91-8
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
4-butyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C12H22O3/c1-4-5-6-11-7-13-12(10(2)3,14-8-11)15-9-11/h10H,4-9H2,1-3H3
InChI Key:
LWGMCQXEGNTASV-UHFFFAOYSA-N
SMILES:
CCCCC12COC(OC1)(OC2)C(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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