Home Other Building Blocks 1-[(2R,4r,6S)-2,6-dimethyloxan-4-yl]propan-1-one, cis

1-[(2R,4r,6S)-2,6-dimethyloxan-4-yl]propan-1-one, cis

CAS No.:
2137028-98-7
Catalog Number:
AG01EJWT
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
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Product Description
Catalog Number:
AG01EJWT
Chemical Name:
1-[(2R,4r,6S)-2,6-dimethyloxan-4-yl]propan-1-one, cis
CAS Number:
2137028-98-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD31567062
IUPAC Name:
1-[(2S,6R)-2,6-dimethyloxan-4-yl]propan-1-one
InChI:
InChI=1S/C10H18O2/c1-4-10(11)9-5-7(2)12-8(3)6-9/h7-9H,4-6H2,1-3H3/t7-,8+,9?
InChI Key:
ZYJGYHONZMLCIN-JVHMLUBASA-N
SMILES:
CCC(=O)[C@@H]1C[C@H](C)O[C@@H](C1)C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties