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
    4.7939   -0.7093    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.0926    0.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659   -0.5243    0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169   -1.5433   -0.4417 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1226    0.1774    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240    1.2502    1.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -0.3228   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237    0.4681    0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3589   -0.0488   -0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187   -0.3610    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819    0.9933   -1.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871   -1.7990    0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -0.3249    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088   -0.3587   -0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298    1.6059    1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1982    1.7896    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412   -1.3836    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -0.3229   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970   -0.9428   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4865    0.4837    1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347   -1.2884    1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4096   -0.4091    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914    1.9753   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4293    1.0007   -2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0437    0.6873   -1.4341 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