Monomers

CID 86152285

Identifiers

IUPAC name
3-ethenyl-4-ethyloxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,5-6H,1,4H2,2H3
InchI Key
OYYSZCVRQVKKMC-UHFFFAOYSA-N
SMILES
C=CC1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(C(=O)OC1=O)C=C
Isomeric SMILES
CCC1C(C(=O)OC1=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H10O3
Heavy Atom Count
11
Molecular Weight
154.165
Exact Molecular Weight
154.063
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
0.8982
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.9747   -0.0853   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -0.3659   -0.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    0.3647   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    1.1516    0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809    2.3762    0.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942    0.2451    1.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -0.9036    1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404   -1.9593    2.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161   -0.6587    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211   -0.1033    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.4097   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0412    0.6733    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8675   -0.6287   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277   -1.1435   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148    0.9716   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869   -1.5975   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221    0.6122    1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -0.9828    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4616    0.4547   -1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063   -0.2603   -1.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0127    1.4296   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers