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
   -6.1504   -0.4989   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7766   -0.7564    0.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.1217   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0984    1.1618   -0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -0.1650    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    0.6706   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0141    0.3895    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769   -0.6685    0.7932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888    1.2328   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425    1.1347    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    0.0801   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996    0.2868   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -1.3464   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7334   -0.3018    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130   -1.3330   -0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824    0.4396   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.0914    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6623    1.5672   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867    2.1358   -0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.1074    1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.1674   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546   -0.6666   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748    0.5860    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955    1.0630   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -1.7797   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -1.9839   -0.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729   -1.5527    0.7865 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