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
-2.4975 -1.7692 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4547 -0.8839 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7489 0.1403 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8618 1.0395 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1885 2.0428 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 1.4459 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 0.6018 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7767 1.3261 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8533 0.3294 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7993 0.6999 -0.7912 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.9604 0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7125 -1.9455 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7905 -1.9177 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5199 -1.8282 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -2.8190 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 -1.3774 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2017 -0.3978 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0403 -1.5350 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5312 0.7762 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2270 -0.3786 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0732 0.4674 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 1.5280 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9620 2.6721 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6699 2.7613 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 2.2630 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9689 0.8404 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4413 -0.3021 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3525 0.2406 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 2.1481 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2685 1.5840 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4805 -2.9351 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4329 -2.8087 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1544 -1.0483 -1.1366 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