Monomers
Vinyl pelargonate
Identifiers
IUPAC name
ethenyl nonanoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3
InchI Key
NWJTZFZQVYJIHU-UHFFFAOYSA-N
SMILES
CCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.4237
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
33 32 0 0 0 0 0 0 0 0999 V2000
-4.2990 0.4337 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5523 0.9023 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1755 -0.3123 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 -1.2300 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0449 -0.5122 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1280 -1.4072 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -0.6303 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8512 -0.1497 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0442 0.5796 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9071 1.7354 -0.8708 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2824 -0.0191 -0.3992 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3748 0.6899 -0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0657 1.4399 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1409 1.1328 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5889 0.5398 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6339 -0.6167 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2361 1.5730 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 1.5010 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0702 -0.8489 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 0.0530 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -1.6393 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0674 -2.1122 1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.3537 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5602 -0.2050 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0849 -2.3530 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6467 -1.6620 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7503 -1.1813 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7781 0.2971 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 0.5657 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 -0.9764 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5940 0.5704 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7779 1.5009 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9207 1.9875 -0.4564 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 1 0
12 13 2 3
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers