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
2.0975 -0.6309 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5717 0.1616 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2829 1.1743 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2771 -0.1597 -0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9052 -0.0898 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0426 1.2940 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1481 -0.3452 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 -1.1019 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6399 -1.6396 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 -0.1142 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1988 -0.7871 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 1.7540 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2263 1.4421 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3168 -1.1772 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 0.5314 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5779 1.3888 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0994 1.6208 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5556 2.0125 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2361 -1.4221 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 0.1617 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0566 0.0602 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7000 -2.1321 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3232 -0.8339 2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9774 -1.1680 1.4966 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