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
    6.3060   -0.3404    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512   -0.6792   -0.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663   -0.0953    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358    0.7657    1.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.4307   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830    0.1618    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -0.1878   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919   -1.0476   -1.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871    0.3893   -0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1662   -0.0307   -0.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    0.6992   -0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4733    0.3731    1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6085    0.0589   -0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6312    0.6122   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0392   -1.1578    0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1815   -0.1227    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018   -1.1628   -1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5461    0.9170    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456    0.1617   -1.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532   -1.1226   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443    1.7720   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430    0.6849    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441   -0.7370    1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.7981    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3052   -0.4832   -1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3464    0.8621   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1047   -0.6581   -0.2479 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