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
   -3.3989    0.3680    1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222   -0.9389    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.7134   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798   -0.3071   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602   -1.3472    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -0.9518    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368   -0.7157   -1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -0.3612   -0.9747 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2488    0.7489   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    1.5126    0.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    1.0725   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997    2.1475    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    0.4158    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2039    0.3654    2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207    1.2482    0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204   -1.7319    1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167   -1.2000    0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.6299   -1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300    0.1152   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307   -0.0990   -1.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809    0.6369   -0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490   -2.3345   -0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -1.5500    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -1.7714    0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749   -0.0324    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061   -1.5854   -1.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319    0.1262   -1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    0.4413   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2519    2.7735    0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0363    2.3970    0.6357 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