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
    5.6775    1.0141    0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412    0.5636    0.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107   -0.7787    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511   -1.6058    0.4516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   -1.2154    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221   -0.3848    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -0.8750   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -2.1146   -0.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312   -0.0314   -0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289   -0.5826   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1847    0.4687   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5238   -0.1876   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2447    1.3774    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    1.9662    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961    1.1376   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    0.2678    1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -2.2775    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184    0.6787    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163   -1.1462   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -1.2592    0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    1.1100   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205   -0.5279   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6510   -1.0750    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    0.5458   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649    2.2566    0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.8611    1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    1.8141    0.7280 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