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
Resources
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
1.7498 -0.0169 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 0.6608 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 -0.0332 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1684 -0.5560 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2912 -0.1386 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5921 0.7138 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3466 -0.1769 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1754 -0.9133 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6445 1.7167 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0687 0.7210 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7225 -0.5164 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1215 -1.0488 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7031 -0.8001 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3319 0.8503 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 -0.4625 -0.8591 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