Home Other Building Blocks 2-(1,1-DIMETHYLETHYL)TETRAHYDRO-4H-PYRAN-4-ONE

2-(1,1-DIMETHYLETHYL)TETRAHYDRO-4H-PYRAN-4-ONE

CAS No.:
65857-18-3
Catalog Number:
AG01BTQF
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01BTQF
Chemical Name:
2-(1,1-DIMETHYLETHYL)TETRAHYDRO-4H-PYRAN-4-ONE
CAS Number:
65857-18-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD19650687
IUPAC Name:
2-tert-butyloxan-4-one
InChI:
InChI=1S/C9H16O2/c1-9(2,3)8-6-7(10)4-5-11-8/h8H,4-6H2,1-3H3
InChI Key:
QXUVQKXIDSHNNN-UHFFFAOYSA-N
SMILES:
CC(C1OCCC(=O)C1)(C)C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties