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
    4.4881    1.1587    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    0.2020    0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6768   -1.1292    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044   -1.4691    0.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726   -2.1336    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787   -2.0566    0.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6071   -0.8815    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    0.2787    0.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016   -1.0109    0.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6646    0.0621    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717   -0.4396    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016    0.6090   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    0.5841   -1.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    1.2115    0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    0.5779   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    1.8695   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    1.7175    1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577   -3.1660    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425   -3.0145    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2686   -0.9060    1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370   -1.3001   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271    1.4764   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9242    0.1601   -0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5611    0.9532    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    1.5924   -1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909    0.5553   -1.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6293   -0.0738   -1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    0.8661    2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    1.8360    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619    1.8706    0.6756 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