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
   -4.0696   -1.6361    1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969   -1.1695    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390    0.2132   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870    0.8432   -1.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974    1.1236   -0.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.0236   -0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109    0.7342   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -0.1848   -0.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    0.3168    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0082    1.5737   -0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163   -0.5412    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1242   -0.0478    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449   -1.2722    2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -2.7217    0.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0068   -1.1614    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -1.2668    0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886   -1.8471   -0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.2011   -0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3984    0.9022    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    0.2429   -2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    1.8451   -1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6858    1.9398   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325    1.6209   -1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2408   -0.7645   -1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0419   -0.4260    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629    1.2344   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    1.4063    0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7713   -1.6030    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9828   -0.6167    0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2783    1.0375    0.5364 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