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
    4.2368   -0.4828    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -0.1584   -0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595    0.5684   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -0.2886    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    0.3941    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654    0.7430   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9108    1.4258   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.6542    0.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145   -0.5797   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -1.0015   -1.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988   -1.3562    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8271   -0.9441    1.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856   -1.5174    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    0.2392    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3472   -0.3681    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -1.0554   -1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3737    0.5364   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419    0.8091   -1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998    1.5426    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488   -1.2333   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626   -0.6066    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6057   -0.3093    1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    1.2617    1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0851    1.5271   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -0.1162   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7921    2.4100   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436    1.6759   -1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6022   -2.3060    0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217    0.0230    2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5570   -1.4866    2.1721 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