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
    5.2508    0.5757    1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0073    0.3873    0.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882    0.1448   -0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9647    0.1054   -1.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -0.0509   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    0.0043   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743   -0.1905   -1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.4086   -2.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9889   -0.1417   -0.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   -0.3359   -0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946   -0.2516   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317   -1.2846    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557    1.1045    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1180    1.3880    2.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6277   -0.2997    1.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0365    0.9236    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.2340   -2.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5487    0.1859    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -1.3623   -1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938    0.4003   -1.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162   -0.4636   -0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587   -1.3322    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5604   -1.0541    1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341   -2.2791    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7198    1.7898    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4841    1.6242    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545    1.0552    1.6944 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