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
-2.1553 0.7580 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8002 0.7527 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0640 -0.4693 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6763 -1.3260 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3280 -0.7383 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2846 0.3473 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6788 1.6931 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1358 0.7486 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7674 -0.1075 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 0.7133 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 1.6730 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1428 -2.2185 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6729 -1.2208 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3851 -0.8882 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6846 -1.6800 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1887 -0.0270 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7648 1.0946 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6258 0.8949 -0.9710 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