Monomers

Heptyl acrylate

Identifiers

IUPAC name
heptyl prop-2-enoate
InchI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3
InchI Key
SCFQUKBBGYTJNC-UHFFFAOYSA-N
SMILES
CCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCOC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
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

 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.3824   -0.7542   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1642    0.1044   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    0.4560    1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179    1.3189    0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831    0.6734    0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676   -0.6088    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233   -1.1437   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306   -0.1542    0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5092   -0.3744   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181   -1.4585   -1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    0.6174   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6732    0.3806   -1.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088   -1.8033   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866   -0.7673    0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1106   -0.3387   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    1.0681   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567   -0.4876   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839   -0.4498    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435    1.0352    1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061    2.2311    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    1.6144    1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043    0.4668   -0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765    1.3761    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561   -1.3308    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -0.4713    1.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809   -2.1206    0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -1.1982   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    1.5466   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7795   -0.5425   -1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4610    1.1147   -1.3614 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
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers