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
   -3.4726   -1.3620   -0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3488    0.1384   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    0.8571    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    0.5785    1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236    0.7557    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -0.1230   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268    0.0865   -1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -0.2142   -0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914   -0.1018   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    0.2743   -1.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -0.4025    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576   -0.2711    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9450   -1.5969    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -1.8697   -0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1606   -1.7134   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4568    0.4481   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508    0.3799   -1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0111    1.9725    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8715    0.7402    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971   -0.4877    1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785    1.1687    2.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    0.6392    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553    1.8557    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725   -1.1980   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279    0.1775   -1.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267    1.0916   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -0.6506   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588   -0.7313    1.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426    0.0492   -0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5845   -0.4910    1.3560 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