Monomers
Vinyl laurate
Identifiers
IUPAC name
ethenyl dodecanoate
InchI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3
InchI Key
GLVVKKSPKXTQRB-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCCCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H26O2
Heavy Atom Count
16
Molecular Weight
226.36
Exact Molecular Weight
226.1933
Valence Electrons
94
Radical Electrons
0
tPSA
26.3
MolLogP
4.594
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
42 41 0 0 0 0 0 0 0 0999 V2000
-6.8899 0.4275 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4327 -0.0371 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8407 -0.2060 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4201 -0.6584 -1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 0.3376 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1299 -0.1397 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3353 0.8780 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1051 0.4697 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2699 -0.8337 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7301 -1.1942 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5260 -0.1543 1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 -0.6190 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3205 -1.4396 2.4962 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8592 -0.1507 0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1861 -0.5429 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9751 -0.0493 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3545 0.2915 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8517 1.5041 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4010 -0.1029 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9170 0.7768 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3817 -1.0110 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8626 0.7448 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4373 -0.9368 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3312 -1.6452 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9750 -0.7636 -2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9208 0.3667 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6486 1.3261 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -1.1043 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7036 -0.3398 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3966 1.8888 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 0.9556 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4992 0.4209 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6125 1.2562 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8780 -0.7840 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7659 -1.6925 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 -2.1671 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1676 -1.2994 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5310 0.7968 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1948 -0.0161 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5948 -1.2577 1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6128 0.6497 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0250 -0.3269 -0.3311 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 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 2 3
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
4 24 1 0
4 25 1 0
5 26 1 0
5 27 1 0
6 28 1 0
6 29 1 0
7 30 1 0
7 31 1 0
8 32 1 0
8 33 1 0
9 34 1 0
9 35 1 0
10 36 1 0
10 37 1 0
11 38 1 0
11 39 1 0
15 40 1 0
16 41 1 0
16 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers