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
-4.8707 1.2640 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3633 0.2383 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 0.2348 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 -0.7468 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7508 -0.7048 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2270 -1.0437 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2852 -1.0416 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 0.3061 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3078 0.3641 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 0.5580 1.4475 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1275 0.2147 -0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4917 0.2484 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3406 0.4451 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8827 1.6525 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1884 2.1409 0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8812 0.8472 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7208 -0.7794 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6946 0.4884 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4909 1.2410 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -0.0700 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5474 -0.4345 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6042 -1.7861 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4395 0.3598 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 -1.3893 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 -2.0422 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -0.3017 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 -1.8212 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5568 -1.2880 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.6556 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4152 1.0406 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9238 0.0862 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4301 0.4455 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0993 0.6180 1.2102 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