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877880-57-4 | 1,3-Cyclopentadiene, 3-(1,1-dimethylethyl)-1-ethyl-
CAS No: 877880-57-4 Catalog No: AG004KY5 MDL No:
Product Description
Catalog Number:
AG004KY5
Chemical Name:
1,3-Cyclopentadiene, 3-(1,1-dimethylethyl)-1-ethyl-
CAS Number:
877880-57-4
Molecular Formula:
C11H18
Molecular Weight:
150.2606
IUPAC Name:
3-tert-butyl-1-ethylcyclopenta-1,3-diene
InChI:
InChI=1S/C11H18/c1-5-9-6-7-10(8-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChI Key:
HWFNAIRTAQKISS-UHFFFAOYSA-N
SMILES:
CCC1=CC(=CC1)C(C)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.141g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.265g/mol
Monoisotopic Mass:
150.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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