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
    1.8849   -1.4220   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    0.0281    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.8657   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    0.5326    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    0.1452    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561    0.8107    0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808   -1.3220    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002    0.7221   -1.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -1.9983    0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028   -1.7921   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -1.5446    0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236    0.5510   -0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445    1.9294   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3797    0.2351    1.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    1.6625    0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.8692    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346    0.3050    1.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028    1.8715    1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823   -1.4482   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -1.8815   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688   -1.7149    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    1.6907   -1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392   -0.0067   -2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    0.9113   -1.4627 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