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
   -3.3629   -0.7739   -0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925   -0.4610    0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    0.8767    0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777    0.9182    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722   -0.0711    1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -0.0981    1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419   -0.4301   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -0.4339   -0.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826    0.6307   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596    1.7280    0.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    0.4982   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3600   -0.6691   -0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    0.1391   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -1.4835   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3075   -1.2006   -1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6892   -0.4095    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720   -1.1994    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657    1.6980    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    1.1070    1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    1.9444    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733    0.6983   -0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167    0.1149    2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878   -1.0938    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.8829    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285   -0.8575    1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118    0.3139   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098   -1.4370   -0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4556    1.3672    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4272   -0.7872   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395   -1.5117   -0.7039 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