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
    5.9493   -0.2589    0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -0.2095    0.6615 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836   -0.8006   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7463   -1.4032   -1.2391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -0.7562   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.1506    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2949   -0.1486   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -0.7232   -1.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223    0.4848    0.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050    0.5465    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -0.8296    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0856   -0.8106   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169    1.4144    1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    1.2569   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5538    0.2241    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    0.3150    1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281   -1.2996    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069   -1.2487   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    0.3425    0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4502   -1.2879    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   -1.4561   -0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4792   -1.7913    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388   -0.7842   -1.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6154   -0.0287    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0040    2.3389    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    0.9189    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454    1.7433    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892    2.0009   -1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281    0.5676   -1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549    1.8337   -1.0881 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