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
1.9730 0.6052 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5756 -0.2379 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4349 -0.3553 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3012 -0.9761 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9266 -0.1293 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0309 0.6508 -1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -0.9609 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9395 0.8304 1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 1.7044 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4502 0.3673 -2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 0.4337 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 -0.9487 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3684 0.1544 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2717 -1.6284 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2853 -1.6904 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 -0.0330 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 0.9952 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4007 1.5450 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8651 -0.8358 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9091 -2.0509 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 -0.7198 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 0.3757 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0780 1.1844 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 1.7202 1.0599 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