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
    5.6448   -0.4757    0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497   -0.6468   -0.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    0.4675    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    1.5956    0.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0129    0.3586   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    1.3933   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    1.1950   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    2.1786   -0.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -0.0473   -0.6262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0714   -0.3124   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.0284    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -0.9107    1.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250   -0.3733    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7570    0.0857    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    0.0983   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0836   -1.5023    0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.6132   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033    2.3503    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.3835   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3675    0.3083   -1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8705    1.0354    0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -1.6217    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -0.2578    2.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -1.4963    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4795   -1.4735    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9786    0.0817    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831   -0.0056   -1.0041 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