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
   -4.5721    0.3939    1.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0401   -0.1678    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360   -0.2711    0.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297    0.4175   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    1.1766   -1.4815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    0.3124   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    1.0116   -1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9415    0.9594   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287    1.6510   -1.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300    0.1868   -0.2618 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    0.1031   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4240    0.6693    1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5755   -1.2663   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6712   -1.5012   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9271    0.1379    2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5651   -0.0696    1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    1.4849    1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.5317   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -0.3247    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    1.6510   -1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530    0.7847   -0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187    0.9223    1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.1300    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    1.5958    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202   -2.0561    0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5575   -1.4520   -1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6579   -1.2301   -0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9285   -2.0702    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0187   -2.1283   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6031   -1.3227   -0.8447 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