Monomers

Diisopropyl fumarate

Identifiers

IUPAC name
dipropan-2-yl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5+
InchI Key
FNMTVMWFISHPEV-AATRIKPKSA-N
SMILES
CC(OC(=O)/C=C/C(=O)OC(C)C)C
Canonical SMILES
CC(C)OC(=O)C=CC(=O)OC(C)C
Isomeric SMILES
CC(C)OC(=O)/C=C/C(=O)OC(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4458
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    4.7427   -0.9519   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894    0.1345    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    0.1064   -0.0232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6459   -0.0926    0.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165   -0.2638    2.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -0.1150    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -0.3096    1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.3307    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385   -0.5194    2.2174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6289   -0.1550    0.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0062   -0.1729   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444   -1.1678   -1.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3635    1.2047   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    1.4644   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6330   -1.2088    0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087   -0.6499   -1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315   -1.8822   -0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1121   -0.0353    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372    0.0300   -0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3426   -0.4533    2.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6096   -0.3477    0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0461   -1.9223   -0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -1.6921   -1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8614   -0.6947   -2.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    1.6996   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7387    1.8234    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2098    1.1606   -1.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6757    1.3946   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    1.8535   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    2.1326    0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  2 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  6 19  1  0
  7 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
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers