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
1.7143 -0.3516 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8724 0.4003 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5795 0.2772 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 1.3700 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 -1.0221 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 0.2678 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -1.3367 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7053 -0.5090 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1572 1.4646 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0664 -0.0314 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8044 2.3453 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 1.2960 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5636 -1.3475 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6682 -1.8300 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2235 -0.9929 -0.8122 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