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
    6.1047   -0.0730    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784   -0.1555    0.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424    0.4856   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3355    1.1846   -1.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.3710   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8198   -0.3575    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -0.4820    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -1.1911    1.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.1259   -0.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9313   -0.0150    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811    0.7676   -1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1715    0.6187   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321   -1.4878   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.3955    1.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4461    0.8372   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4584   -0.1321    1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412   -1.0035   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7923    0.9085   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609   -0.8677    1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4115    1.8530   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965    0.4468   -2.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6214    0.4671   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6223    1.5681   -0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4952   -0.1575   -0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633   -2.0637    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -1.6779   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4885   -1.8788   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366    0.8299    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082    1.1815    1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477   -0.4981    2.0197 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