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15869-94-0 | Octane, 3,6-dimethyl-
CAS No: 15869-94-0 Catalog No: AG001QRF MDL No:
Product Description
Catalog Number:
AG001QRF
Chemical Name:
Octane, 3,6-dimethyl-
CAS Number:
15869-94-0
Molecular Formula:
C10H22
Molecular Weight:
142.2817
IUPAC Name:
3,6-dimethyloctane
InChI:
InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChI Key:
JEEQUUSFXYRPRK-UHFFFAOYSA-N
SMILES:
CCC(CCC(CC)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
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