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
   -4.1794    1.6368   -0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6349    0.4697    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -0.0065   -0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508   -1.1595    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5335   -1.7552    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5274   -0.7144    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963   -1.2312   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7800   -0.1117   -0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323   -0.2093   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5598   -1.3188   -0.6814 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9787    0.9641   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789    2.1143    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    2.6057   -0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562    1.6664   -1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2879    1.5639   -0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5402    0.8068    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3912   -0.3391    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829   -0.4038   -1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992    0.8227   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018   -0.7683    1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700   -1.9074    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3457   -2.6023    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275   -2.2308   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710    0.1051   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.3734    1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148   -2.0418    0.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078   -1.6497   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0278    0.8704   -0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1270    2.9725    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401    2.2246    0.4941 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