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
    4.2551   -1.2533    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3632   -0.2702   -0.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546   -0.1473    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6091   -0.9410    0.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    0.8866   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522    1.7053   -1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    0.9983   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -0.1396   -0.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    0.0589    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488   -0.9326    1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.0364   -0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145   -1.4411   -0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7641   -0.8013    1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718   -2.2110    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614    1.6336   -1.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.4638   -1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1564    1.1855    1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869    1.9073   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688    1.0749    0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -0.4372    2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -1.7026    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832   -1.4730    1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120    0.2992   -1.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1086    0.6314   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.0581   -1.0583 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