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
-1.9204 -0.8626 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1411 0.1972 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0272 0.6849 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0273 1.9710 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1431 -0.1560 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 -0.7924 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1903 -0.4982 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4249 -1.8463 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 -0.9968 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7933 1.0179 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7118 -0.2539 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 2.6563 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8528 2.3762 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9111 0.4471 -1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -0.9530 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 -0.3649 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 -1.8869 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2674 -0.7396 1.4757 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