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
    5.7087   -0.6825   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223   -0.3406   -0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9269    0.9971   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574    1.8395   -0.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    1.3902   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    0.5193   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627    0.9338   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1479    0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8853    0.0304   -0.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408    0.5000   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820   -0.6727   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -1.6259    0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5905   -0.1213   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411   -1.0862    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378    0.2099   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528   -1.4362   -1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3010    2.4295    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.5541   -0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.1334    0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4287    1.1311   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941   -1.1517   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8996   -2.0653    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3268   -2.4751    0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -1.1494    1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9503    0.1281   -1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2810   -0.8538    0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6541    0.8245    0.4453 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