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15869-86-0 | Octane, 4-ethyl-
CAS No: 15869-86-0 Catalog No: AG001QQY MDL No:
Product Description
Catalog Number:
AG001QQY
Chemical Name:
Octane, 4-ethyl-
CAS Number:
15869-86-0
Molecular Formula:
C10H22
Molecular Weight:
142.2817
IUPAC Name:
4-ethyloctane
InChI:
InChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3
InChI Key:
NRJUFUBKIFIKFI-UHFFFAOYSA-N
SMILES:
CCCCC(CCC)CC
NSC Number:
23698
Properties
Complexity:
57.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.172g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.286g/mol
Monoisotopic Mass:
142.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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