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
   -4.7386    0.5056   -1.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2972    0.0086   -1.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340   -0.1062    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387   -0.5897    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877    0.3559   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681   -0.2152    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    0.7272   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1251    0.2898   -0.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    0.0992    1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    0.3245    2.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028   -0.3575    1.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -0.6047    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9512    1.2936   -0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3876   -0.3706   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237    0.8359   -2.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021    0.6717   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -0.9926   -1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513    0.8369    0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317   -0.8623    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214   -1.5967    0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5050   -0.6654    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225    1.3838    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809    0.3987   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -0.3770    1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -1.1745   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6869    0.6874   -1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421    1.7772    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720   -0.4955    2.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958   -0.9419    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4421   -0.4732   -0.5882 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