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Octane, 4,5-dimethyl-

CAS No.:
15869-96-2
Catalog Number:
AG001QRD
Molecular Formula:
C10H22
Molecular Weight:
142.2817
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Product Description
Catalog Number:
AG001QRD
Chemical Name:
Octane, 4,5-dimethyl-
CAS Number:
15869-96-2
Molecular Formula:
C10H22
Molecular Weight:
142.2817
MDL Number:
MFCD09038381
IUPAC Name:
4,5-dimethyloctane
InChI:
InChI=1S/C10H22/c1-5-7-9(3)10(4)8-6-2/h9-10H,5-8H2,1-4H3
InChI Key:
DOYJTLUPPPUSMD-UHFFFAOYSA-N
SMILES:
CCCC(C(CCC)C)C
Properties
Complexity:
56.4  
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:
5  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties