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
-2.4629 0.1284 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3575 -0.3492 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.0163 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 0.6342 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1670 -0.4342 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 -0.0183 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5106 -0.4210 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4261 -0.0425 0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 1.2005 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 0.0941 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4337 -1.4567 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 0.8638 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6207 0.9686 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1835 -1.5089 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 0.1509 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5367 1.0776 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2805 -0.3341 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6003 -0.5369 -0.8358 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