Monomers

1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
InchI
InChI=1S/C9H14O4/c1-7(2)6-13-9(11)5-4-8(10)12-3/h4-5,7H,6H2,1-3H3/b5-4+
InchI Key
ZSTXFWIDBPYIFZ-SNAWJCMRSA-N
SMILES
COC(=O)/C=C/C(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=CC(=O)OC
Isomeric SMILES
CC(C)COC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
0.9148
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

 27 26  0  0  0  0  0  0  0  0999 V2000
    5.8450   -0.6603   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -0.6794   -0.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742    0.2542    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    1.1283    0.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    0.2301   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    1.1255    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0932    1.1504    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420    2.0239    0.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.2183   -0.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0666    0.1949   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584    0.0287    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366   -1.2225    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4005    0.0708   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327   -0.9855    1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997    0.3186   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3181   -1.3954   -0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -0.5438   -0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.8889    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    1.1323   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -0.6191   -1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8733    0.8967    0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0413   -1.1217    2.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393   -2.0646    0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876   -1.5753    0.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -0.4988    0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7689    1.1019   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3953   -0.3972   -1.3287 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
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
 10 19  1  0
 10 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers