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Home > Other Heterocycles > 3130-19-6
3130-19-6 | Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate
CAS No: 3130-19-6 Catalog No: AG0037DQ MDL No:MFCD00191811
Product Description
Catalog Number:
AG0037DQ
Chemical Name:
Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate
CAS Number:
3130-19-6
Molecular Formula:
C20H30O6
Molecular Weight:
366.4486
MDL Number:
MFCD00191811
IUPAC Name:
bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate
InChI:
InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2
InChI Key:
DJUWPHRCMMMSCV-UHFFFAOYSA-N
SMILES:
O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OCC1CCC2C(C1)O2
EC Number:
221-518-5
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.454g/mol
Monoisotopic Mass:
366.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Structural and functional difference of pheromone binding proteins in discriminating chemicals in the gypsy moth, Lymantria dispar. | International journal of biological sciences 20120101 |
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