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101371-20-4 | Benzene, 1-(1-ethylpropyl)-4-(1-methylbutyl)-
CAS No: 101371-20-4 Catalog No: AG0004B8 MDL No:
Product Description
Catalog Number:
AG0004B8
Chemical Name:
Benzene, 1-(1-ethylpropyl)-4-(1-methylbutyl)-
CAS Number:
101371-20-4
Molecular Formula:
C16H26
Molecular Weight:
218.3776
IUPAC Name:
1-pentan-2-yl-4-pentan-3-ylbenzene
InChI:
InChI=1S/C16H26/c1-5-8-13(4)15-9-11-16(12-10-15)14(6-2)7-3/h9-14H,5-8H2,1-4H3
InChI Key:
ZMJKPBLBOSIOHA-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1)C(CC)CC)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.203g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.384g/mol
Monoisotopic Mass:
218.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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