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
-1.6629 -0.6287 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6652 -0.1947 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5407 0.3120 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9431 1.5675 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 -0.5613 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3210 -1.4759 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -0.8602 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8595 0.2564 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 -1.0105 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 0.6459 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8146 1.9783 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4203 2.2560 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 -0.2872 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 -0.3708 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2045 -1.6267 -0.5245 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