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
-1.3428 -3.9088 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0362 -2.7619 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3634 -1.4301 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0866 -0.3175 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 0.9959 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0156 1.1097 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1613 0.9193 -1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 1.0145 -1.4643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3095 2.1281 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 3.1416 -0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6900 2.1667 -1.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4031 3.2531 -1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 -3.8554 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6368 -3.9873 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 -4.8420 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0225 -2.8865 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0812 -2.7603 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4725 -1.2486 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3027 -1.4379 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0581 -0.5521 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1592 -0.3260 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 1.1834 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0085 1.7765 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5665 0.3769 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 2.1370 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1438 -0.1493 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5279 1.5339 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1476 1.3192 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4198 3.3040 -1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9532 4.1041 -1.1259 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