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
    6.2668   -0.5288   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269   -0.1148   -0.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -0.2711   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162   -0.8169    0.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    0.1613   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -0.0219   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1717    0.4222   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215    0.9771   -1.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033    0.2431    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.6676   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    0.3233    0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187   -1.1644    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331    0.8132   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7602   -1.2996   -0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994   -0.8987    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086    0.3979   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713    0.6400   -1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -0.4935    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403    1.7338   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757    0.0880   -1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.8220    1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461   -1.4846    1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257   -1.4042    1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1944   -1.6796   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4671    0.4969    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5630    1.9230   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7510    0.4687   -1.1266 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