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
   -4.0127    1.1359    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8588   -0.0668   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771   -1.0084    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.3169    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -1.3694    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -0.8819    0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752   -0.4167   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    0.0418   -0.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    1.0803    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    1.6859    0.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    1.4518    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5333    0.8047   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1302    0.8573    1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222    1.8879    0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9662    1.6419    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    0.2639   -1.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099   -0.6364   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7030   -1.8253   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -1.4375    1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222   -0.0585   -0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    0.5267    0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -1.8197    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -2.2529   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.0054    1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425   -1.7129    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421   -1.2476   -1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.3806   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    2.2697    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5814    1.0501   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -0.0331   -1.2510 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