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
2.8380 -0.7112 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5301 0.0436 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 1.3362 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.7771 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9384 -0.0703 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9807 -1.1400 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4097 0.5353 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9709 0.9399 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8724 -1.2799 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9113 -1.3886 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6970 -0.0355 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4670 1.8254 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6389 1.9022 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5247 -1.3355 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2640 -1.5648 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7255 -2.0873 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -0.8227 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -1.2474 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 0.5334 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 1.5913 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3581 0.0700 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 0.6596 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 1.9104 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0487 1.1131 -1.7352 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