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
-4.4661 0.6355 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0616 -0.4609 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1449 -1.4761 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8576 -0.8542 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0967 -0.2026 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 0.3901 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0073 1.0679 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 1.6360 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0760 0.5867 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8400 0.1631 -1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1496 0.0340 0.4027 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9211 -0.9437 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -0.5971 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0287 0.5285 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5661 0.6531 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1800 1.6282 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5715 -0.0203 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9618 -1.0136 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8659 -2.1954 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 -2.0576 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9965 -0.1971 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 -1.7113 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 -0.9517 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6954 0.6344 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0910 1.1433 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7888 -0.3891 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 0.3744 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 1.9181 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9032 2.1313 1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9787 2.4129 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.9876 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 0.4452 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 -1.3242 -1.3869 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