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13151-12-7 | 1-Octene, 4-methyl-
CAS No: 13151-12-7 Catalog No: AG000ZBF MDL No:
Product Description
Catalog Number:
AG000ZBF
Chemical Name:
1-Octene, 4-methyl-
CAS Number:
13151-12-7
Molecular Formula:
C9H18
Molecular Weight:
126.2392
IUPAC Name:
4-methyloct-1-ene
InChI:
InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h5,9H,2,4,6-8H2,1,3H3
InChI Key:
XWJMQJGSSGDJSY-UHFFFAOYSA-N
SMILES:
CCCCC(CC=C)C
Properties
Complexity:
64.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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