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
    5.7066    0.6391   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    0.3444   -0.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373   -0.9417    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6607   -1.8825    0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229   -1.2637    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -0.2706    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025   -0.5249    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404   -1.6658    0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    0.5149    0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    0.6147    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9102   -0.0494   -0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8319   -1.5226   -1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066    2.1288   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223    0.3077    1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2069    0.0262    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.6902    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1517    0.3098   -1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -2.2678    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035    0.7285   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6736    0.4192   -1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0122    0.2108   -0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   -2.0720   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939   -1.8415   -1.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7454   -1.8823   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2717    2.6221    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    2.5485   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    2.2788   -0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099    0.3002    1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074   -0.6322    1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502    1.1328    2.1552 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