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
   -5.0194   -0.0973   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9578    0.0229    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.1638    0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7649    1.0800    0.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8877    0.0770    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097   -0.8732    1.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    0.0258    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -0.9681    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773   -1.0138    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.9986    0.5189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562   -0.0412   -0.5880 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5825   -0.0742   -1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -0.0983    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -0.1330   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170   -1.1944   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9711    0.3500   -1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1343    0.3184   -1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6752   -0.9452    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9905    0.2338    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205    1.2424    1.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5231    2.0934    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    0.8749   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1096   -1.7665    1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -0.9661   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.8152   -1.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -0.9059    0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.8669    0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516   -0.4595   -1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035    0.8610   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6387   -0.8378    0.1971 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