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
    5.6846    0.2366   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600   -0.7563    0.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -0.5939    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    0.4555   -0.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -1.6288    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871   -1.6622    0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -0.6911    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    0.3742   -0.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -0.8876    0.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611    0.0780    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501   -0.4023    0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3228    0.5416    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6945    0.2597   -1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360    1.4141    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    1.2573   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6862    0.2635    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976    0.0598   -1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612   -2.4938    1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996   -2.5518    1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905   -0.4716    1.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -1.3883    0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0369    1.6071    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176    0.2933   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2080    0.3826    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6815    0.5119   -1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    1.1342   -1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2460   -0.6436   -1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    1.6656    1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029    1.4089    1.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    2.2274    0.1395 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