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19780-66-6 | 1-Pentene, 3-ethyl-2-methyl-
CAS No: 19780-66-6 Catalog No: AG002B21 MDL No:MFCD00048664
Product Description
Catalog Number:
AG002B21
Chemical Name:
1-Pentene, 3-ethyl-2-methyl-
CAS Number:
19780-66-6
Molecular Formula:
C8H16
Molecular Weight:
112.2126
MDL Number:
MFCD00048664
IUPAC Name:
3-ethyl-2-methylpent-1-ene
InChI:
InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3
InChI Key:
HPHHYSWOBXEIRG-UHFFFAOYSA-N
SMILES:
CCC(C(=C)C)CC
NSC Number:
73941
Properties
Complexity:
68.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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