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
    4.2876   -0.8996    0.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    0.1428    0.4657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -0.0826    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -1.2784    0.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    1.0012   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970    2.2639   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3026    0.7025   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.0393    0.5744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.2287    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680    0.4411    1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571   -1.7150    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -1.1081   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -0.4975    1.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179   -1.8005    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516    2.4695    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    3.0912   -0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659    0.1248   -1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380    1.6477   -0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    0.1621   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    1.5168    1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    0.0386    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7779    0.2201    2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -1.9447   -0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541   -1.9779    1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329   -2.3286    0.2728 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