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
-4.8897 0.0011 1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5563 0.5892 1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9885 -0.2664 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6405 0.2409 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1981 -0.6950 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1268 -0.3379 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1871 -0.3718 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5013 -0.0105 -1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5804 -0.0385 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7385 0.2334 -0.9612 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3429 -0.3403 0.7065 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2012 -0.4089 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4914 -0.1827 1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7045 0.4445 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9114 -1.1021 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0876 0.1650 2.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8632 0.7291 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7690 1.5929 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8529 -1.3221 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6614 -0.2608 -0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8970 0.2627 0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7167 1.2499 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -1.7513 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9402 -0.6933 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0704 0.7255 -2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 -1.0150 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2742 -1.3815 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0075 0.3484 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6744 -0.7917 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4290 0.9528 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7308 -0.6852 2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0032 0.0833 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0616 -0.2770 2.6646 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