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
    3.1529    1.1487    1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.6736    0.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028   -0.4617   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386   -0.9966   -0.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -0.9662   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838   -2.0259   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907   -0.3453   -1.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7547   -0.3264    0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017    0.2701    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1215   -0.6654    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742    1.5383    0.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494    2.0704    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874    0.4045    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    1.4045    2.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -2.4898   -1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374   -2.4657   -2.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838   -0.8231   -1.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927    0.7333   -1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1294    0.5696   -1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7118   -1.4869    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358   -0.1309    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655   -1.0916   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6566    2.4038    0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449    1.3316    1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351    1.7271    1.1077 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