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
-5.1154 0.3311 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6809 0.2438 1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8153 -0.0292 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 -0.1326 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -0.3997 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8976 -0.5398 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 0.5974 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0404 0.3863 0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 0.1313 -1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3054 0.0832 -2.2249 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2601 -0.0910 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8840 -0.0602 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1867 0.9532 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5171 -0.6726 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7509 0.7452 1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5219 -0.5481 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4084 1.2023 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9559 0.8015 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1867 -0.9383 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2922 -1.0116 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 0.7715 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9647 -1.3457 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 0.3887 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 -0.8144 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1211 -1.4406 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 0.9685 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 1.5110 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8326 -0.2866 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9410 -0.2194 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3048 0.1368 1.0849 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