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Home > Other Heterocycles > 83878-05-1
83878-05-1 | Cyclopentanone,2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-
CAS No: 83878-05-1 Catalog No: AG00544W MDL No:
Product Description
Catalog Number:
AG00544W
Chemical Name:
Cyclopentanone,2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-
CAS Number:
83878-05-1
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclopentan-1-one
InChI:
InChI=1S/C15H22O/c1-15(2)12-7-6-10(13(15)9-12)8-11-4-3-5-14(11)16/h6,11-13H,3-5,7-9H2,1-2H3
InChI Key:
YMEBHFZQLASTNM-UHFFFAOYSA-N
SMILES:
O=C1CCCC1CC1=CCC2CC1C2(C)C
EC Number:
281-172-6
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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