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
   -2.3538   -1.3228   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -0.1856   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449    0.4749    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477    1.9262    0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076    2.3551    0.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789    2.5502    0.5454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921    1.7176    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    1.8741    0.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072    0.6231   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.6359   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677   -1.1688    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923   -1.7782    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -1.7926   -0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056    0.2758   -1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -0.0319    1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    0.9570   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509   -0.4628   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490   -1.4105   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -0.4309    1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3739   -2.0918    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088   -1.4422    1.2147 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