Home Other Building Blocks 1,3-dicyclopentylpropan-2-one

1,3-dicyclopentylpropan-2-one

CAS No.:
858835-49-1
Catalog Number:
AG01EJVR
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
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Product Description
Catalog Number:
AG01EJVR
Chemical Name:
1,3-dicyclopentylpropan-2-one
CAS Number:
858835-49-1
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
MDL Number:
MFCD31690925
IUPAC Name:
1,3-dicyclopentylpropan-2-one
InChI:
InChI=1S/C13H22O/c14-13(9-11-5-1-2-6-11)10-12-7-3-4-8-12/h11-12H,1-10H2
InChI Key:
DCYKPUFYBVECCR-UHFFFAOYSA-N
SMILES:
O=C(CC1CCCC1)CC1CCCC1
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
8  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties