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
   -1.7078   -0.9967    1.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295   -0.0030    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727   -0.2661   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3815    0.4185   -1.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -0.0444   -2.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    1.7614   -1.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613    1.9129   -0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668    2.9385   -0.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    0.5427   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743    0.3798    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7274   -1.0756    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -2.0166    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2609   -0.8533    2.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632    0.9837    0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   -1.3322   -0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.3278   -1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    0.9713    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005    0.7033    1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717   -1.5936   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242   -1.6006    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961   -1.1578    1.0401 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