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Home > Indoles and Oxindole > 683800-07-9
683800-07-9 | 1H-Indole, 2-(1,1-dimethyl-4-pentenyl)-1-methyl-
CAS No: 683800-07-9 Catalog No: AG006417 MDL No:
Product Description
Catalog Number:
AG006417
Chemical Name:
1H-Indole, 2-(1,1-dimethyl-4-pentenyl)-1-methyl-
CAS Number:
683800-07-9
Molecular Formula:
C16H21N
Molecular Weight:
227.3446
IUPAC Name:
1-methyl-2-(2-methylhex-5-en-2-yl)indole
InChI:
InChI=1S/C16H21N/c1-5-6-11-16(2,3)15-12-13-9-7-8-10-14(13)17(15)4/h5,7-10,12H,1,6,11H2,2-4H3
InChI Key:
QPHQVUUHSGBFEH-UHFFFAOYSA-N
SMILES:
C=CCCC(c1cc2c(n1C)cccc2)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.351g/mol
Monoisotopic Mass:
227.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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