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
    5.7360    0.3387    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110   -0.5051   -0.0611 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059   -0.2786   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915    0.6723    0.7451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.1066   -0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -1.0223   -0.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -0.1138   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718    0.8184    0.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -0.2393   -0.3796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8283    0.6562    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285    0.2868   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -1.1432    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2507    1.2225    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -0.1543    0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3491    0.4802    1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877    1.3297    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -1.9019   -1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332   -1.7714   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    1.6844   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545    0.5301    1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    0.3039   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3203   -1.5464   -0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027   -1.7427    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450   -1.1612    1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4711    0.9524    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8505    2.2686    0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1702    1.1424   -0.2004 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