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
-2.1602 -0.9873 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6024 0.3255 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3364 1.4078 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 0.4222 0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9022 0.0123 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1275 0.2376 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9371 -1.4620 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1830 0.7693 -1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2568 -0.9224 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 -1.6661 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 -1.4547 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2955 1.2901 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 2.4017 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2885 -0.1316 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1788 1.4959 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8373 0.0933 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9247 -0.4851 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5531 1.2552 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -1.9282 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 -1.6565 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2081 -1.9782 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7014 0.1479 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8760 1.6348 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2882 1.1786 -1.6797 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