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
    3.2357   -1.4033    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715   -0.6167   -0.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920    0.7123   -0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    1.2679   -0.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859    1.3840   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    2.6518   -1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.6938   -1.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696    0.1967    0.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869   -0.4313   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.3584    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963   -1.8715    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251   -1.5738   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8044   -2.3987    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461   -1.0013    1.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    3.1986   -1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439    3.1766   -1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624    1.3880   -1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599   -0.1700   -1.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778   -0.3799   -1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634    0.5434    1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -0.2312    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    1.3466    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675   -2.1682    0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -2.1262    1.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699   -2.5458   -0.5052 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