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
   -4.5412   -0.8397   -0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9385    0.0780    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5673   -0.1271    0.2127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965    0.8144   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9943    1.9664   -0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741    0.5261   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938   -0.6756    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -0.9214    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -2.0634    0.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    0.0743    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -0.0710    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    0.9348    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4808    0.1258   -1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6111   -0.1194    1.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042   -1.7443   -0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6253   -0.3075   -1.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5407   -1.1499   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1115    1.1560   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    1.3311   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -1.4649    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327   -1.1198    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7051    0.8259    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    1.9357    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1820    0.7482    1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753   -0.5204   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.1031   -2.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    1.2136   -1.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3410   -1.0767    1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4665    0.7529    2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7134   -0.1790    1.3157 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