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Home > Other Heterocycles > 921770-79-8
921770-79-8 | 3-Cyclohexen-1-one, 5-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (5R)-
CAS No: 921770-79-8 Catalog No: AG006GKJ MDL No:
Product Description
Catalog Number:
AG006GKJ
Chemical Name:
3-Cyclohexen-1-one, 5-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (5R)-
CAS Number:
921770-79-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
(5R)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]cyclohex-3-en-1-one
InChI:
InChI=1S/C14H20O3/c15-12-6-4-5-11(9-12)13-10-16-14(17-13)7-2-1-3-8-14/h4-5,11,13H,1-3,6-10H2/t11-,13+/m0/s1
InChI Key:
FWEWKWHVCDCKGT-WCQYABFASA-N
SMILES:
O=C1CC=C[C@@H](C1)[C@H]1COC2(O1)CCCCC2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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