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
    4.2460    2.1442   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    0.7169   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    0.6113   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014   -0.1484   -0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420   -0.7294   -1.9349 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -0.2608   -0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2756    0.3424    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684    0.1984    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749    0.7571    1.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209   -0.5749    0.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8679   -0.6989    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7160   -0.1998   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1253   -2.1641    0.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6600    0.1783    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116    2.7853   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283    2.4151   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2992    2.2404   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0361    0.1340   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -0.8865   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    0.9401    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158   -0.1337    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7638   -0.5340   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6525    0.9087   -0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3251   -0.6323   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746   -2.5300    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0433   -2.3024    1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829   -2.7550   -0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    0.2770    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408   -0.8720    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5910    0.7729    0.6514 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