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
-3.1408 -1.3206 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0523 -0.1582 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4151 1.1812 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5047 1.5361 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2584 0.7731 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2915 0.8676 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8960 0.0178 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9124 0.0826 1.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 -0.7805 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1845 -1.9309 1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9447 -0.2993 -0.2666 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0083 -1.0724 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1640 -0.9462 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -1.7385 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -1.1892 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6281 -2.1918 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7928 -0.2161 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6486 -0.2114 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9540 1.2706 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2527 1.9575 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1961 2.6240 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0685 1.5404 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 -0.2701 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6844 1.2677 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6959 0.5844 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0585 1.9397 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6063 -1.0351 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 0.3722 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4591 -0.2509 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2624 1.1242 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9393 -1.7642 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0231 -1.5123 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2503 -0.2518 0.8296 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