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
   -4.9940    1.1105    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    0.6422   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256    0.9889   -0.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    0.0417   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1659   -1.1635   -0.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    0.4228   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.5171    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -0.2149    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    0.9696    0.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8817   -1.2262    0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -0.9353    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340   -1.5942    1.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.5807   -0.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8012    1.1350   -1.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7032    2.1532    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0713    1.1314    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8871    0.4247    1.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433   -0.4661   -0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775    1.4507   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   -1.5736    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483    0.1601    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -1.3813    2.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834   -2.6805    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6866   -1.1678    2.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9946   -1.8236   -0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4532   -2.5373   -1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970   -0.9334   -1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6984    0.5235   -1.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1364    2.1886   -1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345    1.0888   -2.4472 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