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
    4.7865   -0.1905    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990    0.7178    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.3267   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707   -0.8879   -0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    1.2111   -0.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    1.1847   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983    0.7498    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031    0.8959   -0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491   -0.4894   -1.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8970   -1.2780   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9174   -1.2493    1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309   -0.6260    0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730   -0.5277    1.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7720    0.1086    0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5419   -1.2332    0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    1.7674    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257    0.6074   -1.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192    2.2293   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184    1.5200    0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8782    1.1824    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    1.6362   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -0.9455   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204   -0.4923   -1.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5120   -2.1757   -0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -2.1069    1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.6278    1.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -1.3072   -0.2512 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