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
-4.7469 1.2150 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6023 -0.2738 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1284 -0.6770 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 -0.2441 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0046 -0.5723 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2303 0.0935 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2128 -0.3046 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0953 0.2938 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4869 -0.1565 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7797 -0.9166 0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5401 0.2373 -1.2726 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8428 -0.1859 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6801 0.4991 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6451 1.5269 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9973 1.7873 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7688 1.5259 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1616 -0.6016 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0796 -0.7609 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0967 -1.7829 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6823 -0.2666 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9580 -0.7995 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6007 0.8204 1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 -0.1459 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7993 -1.6606 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3289 1.1959 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -0.2167 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 0.0576 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 -1.4002 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7580 -0.1181 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0034 1.3819 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1714 -1.1001 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6781 0.1406 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4020 1.4085 0.2152 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