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
-2.1759 0.7615 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6865 0.8079 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0333 -0.5107 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 -1.6281 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4458 -0.5629 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 0.3178 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5035 0.7688 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -0.0636 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5702 1.7062 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 1.4843 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3467 1.2954 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1761 -2.5631 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 -1.6507 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 -0.1103 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 -1.5962 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1941 0.1381 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7778 0.0427 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9098 1.3630 0.5113 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