Monomers
2-Methyl-1-butene
Identifiers
IUPAC name
2-methylbut-1-ene
InchI
InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
InchI Key
MHNNAWXXUZQSNM-UHFFFAOYSA-N
SMILES
CCC(=C)C
Canonical SMILES
CCC(=C)C
Isomeric SMILES
CCC(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10
Heavy Atom Count
5
Molecular Weight
70.135
Exact Molecular Weight
70.0783
Valence Electrons
30
Radical Electrons
0
tPSA
0.0
MolLogP
1.9725
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
15 14 0 0 0 0 0 0 0 0999 V2000
1.4163 -0.4342 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 0.1875 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4715 0.3442 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 1.5381 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 -0.8985 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3546 0.3059 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 -0.8993 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6319 -1.2132 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 -0.5726 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5326 1.1488 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0776 1.6470 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4296 2.4441 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7229 -1.7953 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5116 -1.0027 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1643 -0.7999 -0.8137 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
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
2 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
5 14 1 0
5 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers