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
4.2368 -0.4828 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6799 -0.1584 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 0.5684 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3839 -0.2886 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 0.3941 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 0.7430 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9108 1.4258 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6542 0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3145 -0.5797 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8119 -1.0015 -1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2988 -1.3562 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8271 -0.9441 1.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9856 -1.5174 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8238 0.2392 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3472 -0.3681 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 -1.0554 -1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3737 0.5364 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9419 0.8091 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4998 1.5426 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 -1.2333 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8626 -0.6066 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6057 -0.3093 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1946 1.2617 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0851 1.5271 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6692 -0.1162 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 2.4100 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2436 1.6759 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6022 -2.3060 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5217 0.0230 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5570 -1.4866 2.1721 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