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
    5.4010   -2.9536    1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.3587    1.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826   -1.7495    0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -1.7206   -0.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.1466    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -0.5727    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925    0.0340    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433   -0.0016    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822    0.6448   -0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352    1.2309   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799    1.7975   -1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    0.7482   -2.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8878    0.2492    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    2.3991    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379   -2.1232    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -3.6168    2.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3249   -3.5163    0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -1.1878    2.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854   -0.5605   -0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516    2.3026   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7402    2.5298   -1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431   -0.1299   -2.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024    0.4216   -2.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    1.2116   -3.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    0.2832    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470    0.5063    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389   -0.7885    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    2.7031    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    2.1033    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337    3.2612    0.4604 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