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
2.3761 -0.4778 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4814 0.6682 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 1.6004 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1711 0.8454 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8699 -0.1761 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5853 -1.5657 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1116 0.2734 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2998 -0.1810 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3857 -0.1608 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -1.0663 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0125 -1.2142 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9264 1.4545 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3635 2.5025 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2911 1.8214 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3192 0.9292 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0118 -2.1632 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2146 -1.5805 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5833 -2.1000 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6780 1.0340 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 0.7054 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7730 -0.5745 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7791 -1.1490 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0607 0.6212 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4470 -0.0463 -1.9678 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