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
    6.2206    0.2527   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468    0.8251   -0.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422    0.0217   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551   -1.2364   -0.4667 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012    0.5253   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018   -0.2742   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.1992    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633    1.4190   -0.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087   -0.6611    0.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2629   -0.4869    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    0.0947   -0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    1.4469   -1.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.9269    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    0.1442    1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    0.8089   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -0.8086   -0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5989    0.2959   -1.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    1.5879   -0.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595   -1.3348   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1531    0.0771   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0255   -0.6084   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859    1.5047   -1.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7055    1.7619   -1.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6758    2.2529   -0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903   -2.3619   -0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -2.4932    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -1.7969    1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -0.2951    2.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -0.1609    2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220    1.2272    1.7867 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