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
    5.9949   -0.5961    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -0.7123    0.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    0.4185    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946    1.5210    0.0611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    0.3399    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -0.8150    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -0.8357    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952   -1.9003    0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623    0.3280   -0.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498    0.3042   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603   -0.2531    0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502   -0.2071    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3599   -0.3932   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    1.7682   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062   -1.4059    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3139    0.3593    0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4834   -0.6204   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    1.2848   -0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3159   -1.7049    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2977    0.4030    1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -1.2684    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2986   -0.8606   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -0.6444    1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4499    0.8065    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3573    0.0415   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803   -1.4754   -1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.1550   -2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190    2.2328    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057    2.1880   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210    1.8521   -0.7081 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