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
    5.5371   -1.5140   -0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -0.9728   -0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.4191   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0661    1.1220   -0.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    0.9540   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541    0.1837   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463    0.7831    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601    2.0343    0.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    0.0617    0.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498    0.7320    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2119   -0.1916    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149   -1.0789   -0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633    0.6506    0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4318   -2.5246   -1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800   -0.8289   -1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595   -1.4993    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846    2.0225   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7754   -0.9030   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.3774    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    1.3906   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424   -0.8480    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4088   -0.9396   -1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -0.8433   -1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320   -2.1522   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3365   -0.0248    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345    1.2681   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3476    1.3221    1.5829 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