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Home > Other Heterocycles > 140848-21-1
140848-21-1 | 2-Oxabicyclo[2.2.2]octane, 3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-
CAS No: 140848-21-1 Catalog No: AG001CWN MDL No:
Product Description
Catalog Number:
AG001CWN
Chemical Name:
2-Oxabicyclo[2.2.2]octane, 3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-
CAS Number:
140848-21-1
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octane
InChI:
InChI=1S/C16H30O2/c1-14(2,17-5)9-6-10-16(4)13-7-11-15(3,18-16)12-8-13/h13H,6-12H2,1-5H3
InChI Key:
WWSALUKTRXVHPB-UHFFFAOYSA-N
SMILES:
COC(CCCC1(C)OC2(C)CCC1CC2)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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