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
-3.6684 1.8339 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9821 0.5426 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2005 -0.4336 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5176 -1.7595 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 -1.5956 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4215 -1.0028 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0721 -0.8363 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 0.0737 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 0.1578 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 -0.4662 -0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6166 0.9239 1.1168 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0174 0.9737 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6738 1.8716 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7391 1.7415 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 2.3028 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 2.5423 1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 0.7583 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 0.1402 1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2979 -0.6629 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9516 0.0006 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9224 -2.1734 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6631 -2.4356 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6096 -2.6194 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7671 -1.0208 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5980 -1.7220 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 -0.0644 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 -0.5335 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4717 -1.8677 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9925 1.0655 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1741 -0.4288 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5071 0.2173 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7515 1.8572 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1781 2.6196 -0.1835 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