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
-2.4246 0.1077 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2066 0.8841 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0135 0.0778 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -1.1287 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 0.6063 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4045 -0.4039 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4784 -0.1431 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5427 -0.8330 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3344 0.7389 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1755 1.8726 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 1.0310 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7678 -1.7141 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1191 -1.5409 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 1.5136 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 0.9267 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3607 -0.6268 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 -1.3577 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4288 -0.0104 -0.1896 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