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
    4.7454    0.7482    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275    0.6788    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853   -0.0368   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686   -0.1248   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035   -0.8703    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -0.9810    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    0.3694    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285    0.3329    0.3105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688   -0.2243   -0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9355   -0.7465   -1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241   -0.2536   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7541    0.2669    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881   -0.0049   -0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0557    1.7688    0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314    0.5717    1.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524    1.6652    0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335    0.0784    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430    0.5600   -1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -1.0138   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9878   -0.6194   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.9345   -0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183   -1.8434    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -0.2654    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -1.6205    1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158   -1.4990   -0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474    0.9253   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    0.9214    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5504   -0.7074   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2385    0.7249    1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8221    0.2647    0.2645 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