Home Other Building Blocks 3-methyl-1-(tetrahydro-2H-pyran-4-yl)butan-1-one

3-methyl-1-(tetrahydro-2H-pyran-4-yl)butan-1-one

CAS No.:
854696-34-7
Catalog Number:
AG01BIOX
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
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Product Description
Catalog Number:
AG01BIOX
Chemical Name:
3-methyl-1-(tetrahydro-2H-pyran-4-yl)butan-1-one
CAS Number:
854696-34-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD19611769
IUPAC Name:
3-methyl-1-(oxan-4-yl)butan-1-one
InChI:
InChI=1S/C10H18O2/c1-8(2)7-10(11)9-3-5-12-6-4-9/h8-9H,3-7H2,1-2H3
InChI Key:
AUMNEQZRTWJFLC-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C1CCOCC1)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties