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Home > Other Heterocycles > 90475-74-4
90475-74-4 | 3-Penten-2-one, 5-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-3-methyl-
CAS No: 90475-74-4 Catalog No: AG006P81 MDL No:
Product Description
Catalog Number:
AG006P81
Chemical Name:
3-Penten-2-one, 5-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-3-methyl-
CAS Number:
90475-74-4
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpent-3-en-2-one
InChI:
InChI=1S/C15H24O/c1-10(11(2)16)5-6-12-7-8-13-9-14(12)15(13,3)4/h5,12-14H,6-9H2,1-4H3
InChI Key:
SBDJVLSRJPRFKP-UHFFFAOYSA-N
SMILES:
CC(=O)C(=CCC1CCC2CC1C2(C)C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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