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Home > Other Heterocycles > 65370-78-7
65370-78-7 | 3-Oxabicyclo[4.2.2]decane, 1,5,5-trimethyl-
CAS No: 65370-78-7 Catalog No: AG006RR3 MDL No:
Product Description
Catalog Number:
AG006RR3
Chemical Name:
3-Oxabicyclo[4.2.2]decane, 1,5,5-trimethyl-
CAS Number:
65370-78-7
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
1,5,5-trimethyl-3-oxabicyclo[4.2.2]decane
InChI:
InChI=1S/C12H22O/c1-11(2)8-13-9-12(3)6-4-10(11)5-7-12/h10H,4-9H2,1-3H3
InChI Key:
PSMFFFUWSMZAPB-UHFFFAOYSA-N
SMILES:
CC12COCC(C(CC1)CC2)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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