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
2.1748 -1.0819 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5916 0.2745 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2596 1.1357 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 0.7226 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8937 0.0448 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9445 0.7577 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 -1.4001 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 0.2275 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 -1.0305 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1837 -1.5261 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 -1.8012 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1563 0.8437 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9570 2.1821 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 1.8046 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5018 0.6410 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8999 0.2134 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9962 1.7948 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5108 0.7785 2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.6561 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0749 -1.6492 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6242 -2.0753 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7285 1.2391 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 0.0232 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2169 -0.4627 -1.3963 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