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
    5.8526    0.3852    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744    0.3326    0.7092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9826    0.8987   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925    1.4884   -1.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5697    0.8286   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170    0.2174   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    0.1445   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677    0.6829   -1.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836   -0.5061    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392   -0.6002    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560    0.7461    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414    0.6961   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6302   -1.3247    1.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346   -1.4684   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885   -0.6526    1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875    0.8874    2.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177    0.9507    0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268    1.2871   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -0.2354    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0879    1.4626   -0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970    1.2064    1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3555    1.7756   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    0.2251   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5953    0.2367    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -2.1186    1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -0.5640    2.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941   -1.7178    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169   -1.2633   -1.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -1.4759   -1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9206   -2.5250   -0.6933 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