Monomers

2-Butenedioic acid (2E)-, 1,4-dipropyl ester

Identifiers

IUPAC name
dipropyl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InchI Key
DSTWFRCNXMNXTR-AATRIKPKSA-N
SMILES
CCCOC(=O)/C=C/C(=O)OCCC
Canonical SMILES
CCCOC(=O)C=CC(=O)OCCC
Isomeric SMILES
CCCOC(=O)/C=C/C(=O)OCCC
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
1.449
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
   -5.1851   -1.1996   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9527   -0.3944   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0126   -0.4525    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    0.2430    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    1.5905    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    2.2022    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811    2.3896   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471    2.0462   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.7555    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -0.2600    0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6365    0.5686   -0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958   -0.7506    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -0.8748   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210   -0.4433   -1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9288   -2.2636   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0813   -0.8897   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271   -1.0938    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4594   -0.9043   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2358    0.6243   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8383   -1.5341    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154   -0.0575    1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    3.4860   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    2.8712   -0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -1.4520   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204   -1.0367    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -0.3065    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310   -1.9584    0.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.6530   -1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6881   -0.9748   -2.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196   -0.5837   -1.3289 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  7 22  1  0
  8 23  1  0
 12 24  1  0
 12 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