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
    5.7496   -0.4489    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705   -0.7962    0.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    0.1378    0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075    1.3179    0.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461   -0.2223   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311    0.6839   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867    0.2957   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403   -0.9075   -1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    1.2578   -0.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    1.0893   -1.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2948    0.3088   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0224   -1.1183   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    1.0502    0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6461    0.2151    2.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3831   -0.0157    0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -1.4160    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -1.2452   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.7060    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.6677   -2.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102    2.1385   -1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3240    0.4188   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9992   -1.6336    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423   -1.3273    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7595   -1.6884   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5043    2.1340    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220    0.7233    1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867    0.8014    1.3874 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