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
Resources
cid=

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
    2.2034   -0.7205   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    0.1828    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1883    1.2777    0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -0.0758    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -0.0872   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575   -1.1579   -1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444    1.2870   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2779   -0.2874    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113   -1.7399   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921   -0.8205   -0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433   -0.2767   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633    1.4267    0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7749    1.9916    1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -1.1168    1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712    0.6601    1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036   -0.9426   -1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -1.3833   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176   -2.1110   -0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101    2.0188    0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    1.4525   -1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063    1.4385   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -0.8995    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7596    0.6638    1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.7802   -0.0075 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