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
-4.5063 0.4564 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1484 0.1355 0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8595 -0.6470 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 0.1136 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 -0.7700 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7837 -0.0771 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9584 -0.9963 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1670 -0.4851 -0.3883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 0.6665 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2060 1.3485 0.9164 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0495 1.1282 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 0.4524 -1.4533 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5972 1.5790 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5225 0.0787 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7380 0.0590 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0126 1.0544 1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9707 -0.4574 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9334 -1.6502 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6597 -0.7608 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 1.0663 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 0.2904 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2725 -1.0052 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5986 -1.7247 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5751 0.1313 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 0.8660 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -1.2937 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 -1.9398 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4961 2.0430 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2391 -0.4721 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6403 0.8103 -1.8517 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