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
   -5.2886    0.2042   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8977   -0.2365   -0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    0.5956    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    0.0667   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371    0.8102    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326    0.1904   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617    0.8695    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    0.3119   -0.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396   -0.9950    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -1.7795    0.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9975   -1.4938   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -0.7414   -1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2127    1.2671    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9320    0.1018   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440   -0.4493    0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7091   -0.1503   -1.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7216   -1.2872   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    1.6675    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635    0.4085    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660   -1.0135    0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376    0.1940   -1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    1.8878    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127    0.7462    1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842    0.2936   -1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.8760    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743    0.8708    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    1.9311    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435   -2.5375   -0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6173    0.2966   -1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7450   -1.1537   -1.4893 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