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
   -4.3250   -0.5802   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0180   -0.0573   -0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008    0.3319    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8223    0.8411   -0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334    1.2781    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    0.1730    1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -0.9596    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593   -0.9483    0.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -0.3934   -0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796    0.3173   -1.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2949   -0.5783   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913    0.0159   -2.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241   -1.3063   -1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0154    0.2799   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.0920    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001   -0.8301   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2164    0.8038   -1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401   -0.5513    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    1.1555    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    1.6769   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979    0.0437   -1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755    2.1196    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720    1.8276    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -0.2589    2.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    0.5645    2.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1293   -1.8545    1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -1.3425    0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296   -1.2013   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7074   -0.0957   -2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    0.6203   -2.8792 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