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
    6.2463    0.1517   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575   -0.1337   -0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    0.0275    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    0.4382    1.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -0.2495   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008   -0.0805    0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0605   -0.3442   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -0.7507   -1.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528   -0.1687    0.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731   -0.3958    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383    0.4681   -0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735    1.9114   -0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864   -0.0935    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -1.8748   -0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5861   -0.6799    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0916    1.1021    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9994    0.3220   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -0.5957   -1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.2661    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.2975   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8051    0.3441   -1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    2.2195   -0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143    2.0733    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1856    2.5663   -1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618    0.5137    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    0.4146    2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154   -1.0121    1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5504   -2.2030    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459   -2.4353    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227   -2.0988   -1.2107 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