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
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
-4.3824 -0.7542 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1642 0.1044 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 0.4560 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4179 1.3189 0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2831 0.6734 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1676 -0.6088 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3233 -1.1437 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3306 -0.1542 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5092 -0.3744 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6181 -1.4585 -1.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 0.6174 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6732 0.3806 -1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2088 -1.8033 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8866 -0.7673 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1106 -0.3387 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3110 1.0681 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3567 -0.4876 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 -0.4498 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4435 1.0352 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 2.2311 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 1.6144 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 0.4668 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5765 1.3761 0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6561 -1.3308 0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.4713 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6809 -2.1206 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9488 -1.1982 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4815 1.5466 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7795 -0.5425 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4610 1.1147 -1.3614 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