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
   -4.7134    1.0480   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470   -0.2321   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904   -0.1078   -0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5749   -0.2299   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -0.4551   -2.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -0.1122   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    0.1247    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.2462    0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.4687    2.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.1079   -0.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107    0.2170    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -1.0676   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    1.3915   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5700   -1.3720    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7955    0.7758   -0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4306    1.5400    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367    1.7288   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9867   -0.4254   -1.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.2242   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313    0.2352    1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.4142    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -1.5631   -0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4798   -1.7958    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7462   -0.8518   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    2.3083    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6513    1.2652   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    1.4293   -1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -2.2227    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5313   -1.0315    1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5823   -1.6094    0.0207 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