Monomers

Fumaric acid 1-methyl 4-tert-pentyl ester

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylbutan-2-yl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-10(2,3)14-9(12)7-6-8(11)13-4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
ZUXMGIMZRCLDCZ-VOTSOKGWSA-N
SMILES
COC(=O)/C=C/C(=O)OC(CC)(C)C
Canonical SMILES
CCC(C)(C)OC(=O)C=CC(=O)OC
Isomeric SMILES
CCC(C)(C)OC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4474
H Bond Acceptors
4
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    5.9414    0.1396   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321    0.1730   -0.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636   -0.1162    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -0.4243    1.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189   -0.0555    0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511    0.2745   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3021    0.3306   -0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059    0.6367   -1.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525    0.0400    0.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8627    0.0589    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -0.9007   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891   -0.7941   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -0.3943    1.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    1.4343    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2757   -0.3188   -1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384    1.1874   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2460   -0.4674    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   -0.2822    1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    0.4949   -1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693   -1.9326   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -0.7822   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3841   -0.5089   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3184   -0.0359    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4762   -1.7673   -0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141   -1.4416    1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658    0.2027    2.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2930   -0.2160    2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712    1.6975    1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503    2.2295    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0001    1.5384   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 10 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  6 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers