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
3.2260 -0.3434 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3409 -0.7433 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 -0.6232 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4936 0.6961 -1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8906 1.4141 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 0.6857 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3998 0.4770 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 -0.2007 -0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2653 0.2431 0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9266 1.3563 1.4528 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3926 -0.4824 1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7503 -1.6300 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2155 -0.3882 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8979 -0.9923 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6139 0.7064 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1833 -0.1168 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7874 -1.7879 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2809 -1.1528 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3560 -1.3242 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 1.3809 -1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7977 0.6579 -2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6308 1.6398 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 2.4320 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0564 -0.2632 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6368 1.3300 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7738 1.4569 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 -0.0878 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9471 -0.0911 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2343 -2.0822 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5935 -2.1668 1.3541 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