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
    6.5147    0.2065   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2018    0.7369   -0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958   -0.0394   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019   -1.2378    0.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230    0.4695   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   -0.3245    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    0.1925    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.3860   -0.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -0.5686    0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0926   -0.0712    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0216   -1.2127    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4737   -0.8106    0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    0.2698   -1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3462    1.1600    0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.0089   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4981   -0.7817    0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    0.8951    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    1.5000   -0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -1.3430    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756   -2.0832   -0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559   -1.5858    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350   -0.3370   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0612   -1.7719    0.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7909   -0.2343    1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3024    0.9276   -1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6063   -0.6976   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462    0.7334   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732    1.2513    1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    2.1049    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702    1.2568    1.8222 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