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851388-83-5 | Benzene, (1,4-dimethyldecyl)-
CAS No: 851388-83-5 Catalog No: AG004WTB MDL No:
Product Description
Catalog Number:
AG004WTB
Chemical Name:
Benzene, (1,4-dimethyldecyl)-
CAS Number:
851388-83-5
Molecular Formula:
C18H30
Molecular Weight:
246.4308
IUPAC Name:
5-methylundecan-2-ylbenzene
InChI:
InChI=1S/C18H30/c1-4-5-6-8-11-16(2)14-15-17(3)18-12-9-7-10-13-18/h7,9-10,12-13,16-17H,4-6,8,11,14-15H2,1-3H3
InChI Key:
WUDWFSHFKHIZEL-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCC(c1ccccc1)C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.438g/mol
Monoisotopic Mass:
246.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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