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
-5.2896 -0.0048 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2696 -0.4438 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9135 0.0900 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5208 -0.4228 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1954 0.1531 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1491 -0.2570 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2198 0.2991 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2030 -0.1548 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 0.3412 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 1.0314 0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6653 0.0732 -0.9303 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9358 0.5365 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7995 -0.1366 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2451 0.3336 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9254 0.8922 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4892 -0.7882 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5306 0.0380 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2558 -1.5173 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8805 1.1889 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1787 -0.2721 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 -0.0738 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4961 -1.5506 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2892 1.2697 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8443 -0.2576 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1438 -1.3571 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3678 0.2164 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1661 1.3763 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4674 -0.2171 1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8406 0.2394 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1545 -1.2564 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2419 1.4953 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4576 -1.1085 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7791 0.2444 0.3201 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