Monomers
2-Ethyl-1-butene
Identifiers
IUPAC name
3-methylidenepentane
InchI
InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
InchI Key
RYKZRKKEYSRDNF-UHFFFAOYSA-N
SMILES
CCC(=C)CC
Canonical SMILES
CCC(=C)CC
Isomeric SMILES
CCC(=C)CC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12
Heavy Atom Count
6
Molecular Weight
84.162
Exact Molecular Weight
84.0939
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.3626
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
2.4837 -0.4065 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1656 -1.1213 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 -0.2777 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2001 0.9601 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3524 -0.8276 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4333 0.1649 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6129 -0.0657 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3120 -1.1208 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5049 0.4248 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 -2.0314 -0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -1.5364 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2122 1.3342 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 1.6543 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4305 -1.7320 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5895 -1.1886 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6343 0.8627 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2979 0.6593 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3838 -0.4380 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
6 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers