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
    6.5018    0.3531   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529   -0.2477   -0.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    0.3674    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    1.4813    0.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7650   -0.2161   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589    0.3848    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334   -0.2085   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595   -1.3184   -0.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260    0.3979    0.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253   -0.1297    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.8880    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5139    0.4842    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3107   -0.2905   -1.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3426   -1.4245    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584   -0.4346    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039    1.0025    0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8834    0.9492   -0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894   -1.1660   -0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    1.3389    0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8520    1.8862    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8366    0.9324    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1056    1.4204    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9548    0.1190    1.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7288   -0.2752   -0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    0.4817   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3639   -0.3329   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8645   -1.2765   -1.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455   -1.5750    0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -1.2912    1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477   -2.3003    0.3343 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