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116216-76-3 | Oxirane, [(1S)-1-(methoxymethoxy)-1,5-dimethyl-4-hexenyl]-, (2R)- (9CI)
CAS No: 116216-76-3 Catalog No: AG000BYS MDL No:
Product Description
Catalog Number:
AG000BYS
Chemical Name:
Oxirane, [(1S)-1-(methoxymethoxy)-1,5-dimethyl-4-hexenyl]-, (2R)- (9CI)
CAS Number:
116216-76-3
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
(2R)-2-[(2S)-2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane
InChI:
InChI=1S/C12H22O3/c1-10(2)6-5-7-12(3,11-8-14-11)15-9-13-4/h6,11H,5,7-9H2,1-4H3/t11-,12+/m1/s1
InChI Key:
DOWFTZLWOFJRCK-NEPJUHHUSA-N
SMILES:
COCO[C@]([C@H]1CO1)(CCC=C(C)C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
7
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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