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Home > Other Heterocycles > 20887-60-9
20887-60-9 | 7-Oxabicyclo[4.1.0]heptane, 2-(1,1-dimethylethyl)-, (1R,2S,6S)-rel-
CAS No: 20887-60-9 Catalog No: AG002JXU MDL No:
Product Description
Catalog Number:
AG002JXU
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 2-(1,1-dimethylethyl)-, (1R,2S,6S)-rel-
CAS Number:
20887-60-9
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1R,2S,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C10H18O/c1-10(2,3)7-5-4-6-8-9(7)11-8/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChI Key:
SFXWZOTYAVHTJO-HRDYMLBCSA-N
SMILES:
CC([C@@H]1CCC[C@H]2[C@@H]1O2)(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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