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17312-42-4 | Octane, 4,4-diethyl-
CAS No: 17312-42-4 Catalog No: AG001YMH MDL No:
Product Description
Catalog Number:
AG001YMH
Chemical Name:
Octane, 4,4-diethyl-
CAS Number:
17312-42-4
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
4,4-diethyloctane
InChI:
InChI=1S/C12H26/c1-5-9-11-12(7-3,8-4)10-6-2/h5-11H2,1-4H3
InChI Key:
FTEQKVNFZNDQJG-UHFFFAOYSA-N
SMILES:
CCCCC(CCC)(CC)CC
Properties
Complexity:
90.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.203g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.34g/mol
Monoisotopic Mass:
170.203g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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