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
    2.9626    1.1469    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350    0.7111   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    0.0570   -1.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -1.1982   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304   -1.1475    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871   -0.2469   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -0.2484    1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.5068    1.2061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3329    0.3669    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2447   -0.5551   -0.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4869    1.2374    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5419    1.1431   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    2.1151    1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010    1.4188    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    0.4678    1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046    1.6394   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826    0.1139   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658   -0.1928   -2.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7176    0.8198   -1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -1.9457   -0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563   -1.6603   -1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4484   -0.9109    1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -2.2145    0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738    0.7128   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196   -0.7351   -0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -1.2981    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.1024    2.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4955    2.0035    1.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5172    0.3685   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3991    1.7873   -0.2471 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