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
    6.1711   -1.1893    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -0.8272   -0.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -0.6595    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -0.8334    1.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2874   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -0.1285    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    0.2444    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432    0.4007   -1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0297    0.4425    0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463    0.7995    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7846   -0.1593   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386   -1.5331   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1247    2.1533   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640    1.0106    1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668   -0.7569    1.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170   -2.2882    0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9321   -0.8127   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197   -0.1417   -1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385   -0.2681    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544    0.2559   -1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -0.1860   -1.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -1.5989    0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -2.2377   -0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9001   -2.0066   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    2.7054   -0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    2.6920   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7154    1.9241   -1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393    0.1105    1.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    1.4656    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033    1.7102    1.9331 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