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
    5.9001    1.1090    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866    1.1105    0.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187    0.0999    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076   -0.7734   -0.5688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773    0.0240   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954    0.9146    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    0.8033    0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.6170    0.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -0.2405   -0.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8143   -0.3969   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506   -0.5584    0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0358   -0.7132    0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -1.6796   -1.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946    0.7531   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3201    0.1974    1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2379    1.2379   -0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2260    1.9739    1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243   -0.7899   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0400    1.7244    1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885   -1.4956    1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981    0.3290    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103   -1.7230    0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3710    0.0981   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5998   -0.6940    1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675   -1.7087   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286   -1.6858   -1.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8628   -2.5813   -0.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127    1.5494   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155    1.1516   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2189    0.3470   -1.7649 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