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
2.1084 -1.0383 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 0.3435 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3050 1.3487 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3104 0.6361 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8941 0.0160 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1162 0.4312 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1091 0.5102 0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9200 -1.4827 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2303 -1.0694 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8594 -1.3575 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7550 -1.7329 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2473 1.1351 -0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0146 2.3860 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3405 0.2565 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1394 1.7288 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0710 -0.0284 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2553 1.5230 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3382 0.0740 -2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8019 0.7570 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9102 -0.2640 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 1.4577 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0058 -1.7828 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5968 -1.8754 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4210 -1.9726 -0.6794 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