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142066-35-1 | 3-Cyclopenten-1-one, 2,5-bis(1,2,2-trimethylpropylidene)-, (E,E)- (9CI)
CAS No: 142066-35-1 Catalog No: AG001HOJ MDL No:
Product Description
Catalog Number:
AG001HOJ
Chemical Name:
3-Cyclopenten-1-one, 2,5-bis(1,2,2-trimethylpropylidene)-, (E,E)- (9CI)
CAS Number:
142066-35-1
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
2,5-bis(3,3-dimethylbutan-2-ylidene)cyclopent-3-en-1-one
InChI:
InChI=1S/C17H26O/c1-11(16(3,4)5)13-9-10-14(15(13)18)12(2)17(6,7)8/h9-10H,1-8H3
InChI Key:
OUXVEKURDFXINP-UHFFFAOYSA-N
SMILES:
C/C(=C\1/C=C/C(=C(\C(C)(C)C)/C)/C1=O)/C(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.1
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