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13287-19-9 | Octane, 2-methyl-3-(1-methylethyl)-
CAS No: 13287-19-9 Catalog No: AG0011AV MDL No:
Product Description
Catalog Number:
AG0011AV
Chemical Name:
Octane, 2-methyl-3-(1-methylethyl)-
CAS Number:
13287-19-9
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
2-methyl-3-propan-2-yloctane
InChI:
InChI=1S/C12H26/c1-6-7-8-9-12(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3
InChI Key:
KBIUKRVYBYJVSS-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C)C)C(C)C
Properties
Complexity:
84.2
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:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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