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88948-03-2 | Benzene, 4-(1,5-dimethylhexyl)-2-methoxy-1-methyl-
CAS No: 88948-03-2 Catalog No: AG0047J1 MDL No:
Product Description
Catalog Number:
AG0047J1
Chemical Name:
Benzene, 4-(1,5-dimethylhexyl)-2-methoxy-1-methyl-
CAS Number:
88948-03-2
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
InChI:
InChI=1S/C16H26O/c1-12(2)7-6-8-13(3)15-10-9-14(4)16(11-15)17-5/h9-13H,6-8H2,1-5H3
InChI Key:
WORRGNTUXNIQNR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)C(CCCC(C)C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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