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
-3.9722 1.0536 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6398 0.8654 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8247 -0.4128 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5413 -0.2853 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7942 -1.5700 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5025 -1.6150 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3976 -0.5238 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 -0.5262 -0.6328 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5996 0.4281 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2979 1.2532 0.6103 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9031 0.5151 -0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7731 1.4412 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8344 1.7698 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0725 1.4383 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2942 0.0803 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0647 1.6946 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 0.7732 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3588 -1.2904 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5658 -0.5664 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7967 -0.1561 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 0.5942 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4530 -2.4277 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -1.6725 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 -2.6095 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2390 -1.4927 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 -0.7156 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9116 0.4691 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1901 -0.1760 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4978 2.1358 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7461 1.5279 -1.0447 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