Monomers
2,4,4-Trimethyl-1-pentene
Identifiers
IUPAC name
2,4,4-trimethylpent-1-ene
InchI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
InchI Key
FXNDIJDIPNCZQJ-UHFFFAOYSA-N
SMILES
CC(=C)CC(C)(C)C
Canonical SMILES
CC(=C)CC(C)(C)C
Isomeric SMILES
CC(=C)CC(C)(C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
2.9987
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
24 23 0 0 0 0 0 0 0 0999 V2000
2.1244 1.2391 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -0.1051 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 -1.0944 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 -0.4749 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 -0.0756 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 -0.6054 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1193 -0.7541 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1993 1.3895 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6179 1.2269 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9234 1.4753 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4008 2.0518 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -0.8547 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1464 -2.1524 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 -0.0017 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1926 -1.5605 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 -1.7290 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0729 -0.3031 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8524 -0.2790 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 -0.2676 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9200 -1.8457 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0140 -0.6780 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 1.9128 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 1.9229 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 1.5631 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
5 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
3 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
6 17 1 0
6 18 1 0
7 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers