Monomers

Octyl acrylate

Identifiers

IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
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

 33 32  0  0  0  0  0  0  0  0999 V2000
   -4.0457   -1.1401    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071    0.3064    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921    0.4725    1.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373   -0.4443    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -0.1328   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2915    1.2662   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821    1.6698   -1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.7849   -1.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130    0.8461   -0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518    0.0667   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.6557   -1.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6966    0.0682    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.6895    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4281   -1.6602   -0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1131   -1.1710    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.5975    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295    0.5968   -0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5075    0.9451    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    1.5416    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713    0.1576    2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.2981    2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176   -1.4917    1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946   -0.7972   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008   -0.3429   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942    1.3922    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    1.9851    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157    1.6640   -2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402    2.7185   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.2787   -1.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    1.0547   -2.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883    0.6801    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8399   -1.3009   -0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5171   -0.6998    0.9169 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  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers