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188584-38-5 | 3-Buten-2-one, 3-methyl-1-(1,3,3-trimethyl-2-methylenecyclohexyl)-
CAS No: 188584-38-5 Catalog No: AG002H09 MDL No:
Product Description
Catalog Number:
AG002H09
Chemical Name:
3-Buten-2-one, 3-methyl-1-(1,3,3-trimethyl-2-methylenecyclohexyl)-
CAS Number:
188584-38-5
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
3-methyl-1-(1,3,3-trimethyl-2-methylidenecyclohexyl)but-3-en-2-one
InChI:
InChI=1S/C15H24O/c1-11(2)13(16)10-15(6)9-7-8-14(4,5)12(15)3/h1,3,7-10H2,2,4-6H3
InChI Key:
JNGMIFHGSNXISS-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)CC1(C)CCCC(C1=C)(C)C
Properties
Complexity:
335
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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