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
1.8198 0.0643 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 0.8708 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6511 0.0849 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6407 0.4516 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.1227 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 0.1296 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7218 0.4502 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7229 -1.0130 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 1.3496 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5339 1.7079 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 -0.0801 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 1.3327 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 -1.8440 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0180 -1.5675 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5236 -0.8143 1.7117 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