Monomers

CID 85622357

Identifiers

IUPAC name
methyl 2-(propan-2-yloxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-6(2)11-5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
AUSGESVXHJQSRC-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(C)C
Canonical SMILES
CC(C)OCC(=C)C(=O)OC
Isomeric SMILES
CC(C)OCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O3
Heavy Atom Count
11
Molecular Weight
158.197
Exact Molecular Weight
158.0943
Valence Electrons
64
Radical Electrons
0
tPSA
35.53
MolLogP
1.1406
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 25 24  0  0  0  0  0  0  0  0999 V2000
    4.1388    1.3656   -0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3819    0.1955   -0.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.3201   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    1.4659    0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -0.8779    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7877   -2.0697    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705   -0.7601    0.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105   -0.1124   -0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -0.0363    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265   -0.7541   -0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7222    1.3993    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    2.1369   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    1.6962    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    1.1778   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210   -2.2023   -0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -2.9381    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738   -0.1373    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6412   -1.7191    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -0.5041    1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835   -0.7309   -1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3403   -1.7940   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136   -0.2508   -1.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    2.0013    0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8090    1.3346    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    1.7940   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers