Monomers

7-Oxabicyclo[4.1.0]heptan-3-ylmethyl acrylate

Identifiers

IUPAC name
7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
InchI
InChI=1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2
InchI Key
DPTGFYXXFXSRIR-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC1CCC2C(C1)O2
Canonical SMILES
C=CC(=O)OCC1CCC2C(C1)O2
Isomeric SMILES
C=CC(=O)OCC1CCC2C(C1)O2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H14O3
Heavy Atom Count
13
Molecular Weight
182.219
Exact Molecular Weight
182.0943
Valence Electrons
72
Radical Electrons
0
tPSA
38.83
MolLogP
1.2831
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0

MOL File


     RDKit          3D

 27 28  0  0  0  0  0  0  0  0999 V2000
    5.1424    0.2336    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9886   -0.1814   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384    0.5279   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    1.6328    0.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    0.0704   -0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323    0.8044   -0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671    0.1333   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.9139   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    0.1605    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033   -0.5408    1.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -1.3855    0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0368   -1.2711   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -0.2784    1.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825    1.1535    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472   -0.3119    0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -1.1068   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709    1.7704   -0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492    0.9874    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    0.0962   -1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    1.8397   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.3022   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612   -0.5846   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9642    0.9029    0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5074   -0.8968    1.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462   -2.3998    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -1.8157   -1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0221   -1.7564   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 12  7  1  0
 13 10  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 12 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers