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826337-62-6 | Cyclohexane, 1-ethyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2R,4S)-
CAS No: 826337-62-6 Catalog No: AG005CE9 MDL No:
Product Description
Catalog Number:
AG005CE9
Chemical Name:
Cyclohexane, 1-ethyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2R,4S)-
CAS Number:
826337-62-6
Molecular Formula:
C15H26
Molecular Weight:
206.3669
IUPAC Name:
(1S,2R,4S)-1-ethyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
InChI:
InChI=1S/C15H26/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3/t13-,14+,15-/m0/s1
InChI Key:
ISQNMVFLBCGJAN-ZNMIVQPWSA-N
SMILES:
CC[C@@]1(C)CC[C@@H](C[C@@H]1C(=C)C)C(=C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
206.203g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.373g/mol
Monoisotopic Mass:
206.203g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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