Monomers

Acrolein diethyl acetal

Identifiers

IUPAC name
3,3-diethoxyprop-1-ene
InchI
InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InchI Key
MCIPQLOKVXSHTD-UHFFFAOYSA-N
SMILES
CCOC(OCC)C=C
Canonical SMILES
CCOC(C=C)OCC
Isomeric SMILES
CCOC(C=C)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H14O2
Heavy Atom Count
9
Molecular Weight
130.187
Exact Molecular Weight
130.0994
Valence Electrons
54
Radical Electrons
0
tPSA
18.46
MolLogP
1.5715
H Bond Acceptors
2
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

 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.0090   -2.5294   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2460   -1.3583    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976   -0.5149   -0.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.6041   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    0.6471   -0.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.7394   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -0.4359    0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0503    1.8073   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075    2.9358   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952   -2.3763   -0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996   -2.7303   -1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7638   -3.4412    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -1.7663    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -0.8672    1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    0.6530    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056    0.7144   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242    1.6545    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -0.4307    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302   -0.3817    1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -1.4019    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1218    1.6847   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548    3.7745   -1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    3.0192   -1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers