Monomers
Allyl valerate
Identifiers
IUPAC name
prop-2-enyl pentanoate
InchI
InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
InchI Key
PWYXVVREDGESBB-UHFFFAOYSA-N
SMILES
CCCCC(=O)OCC=C
Canonical SMILES
CCCCC(=O)OCC=C
Isomeric SMILES
CCCCC(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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
24 23 0 0 0 0 0 0 0 0999 V2000
3.8359 0.4114 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0211 0.5390 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6870 -0.1491 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7928 0.4320 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5095 -0.3148 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 -1.2273 1.2361 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 0.0305 -0.5312 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6616 -0.6482 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4696 -0.5198 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6659 0.0316 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8516 0.0068 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9388 1.4061 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3207 -0.2672 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5944 0.2712 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7883 1.6434 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 0.0519 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 -1.2338 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.3083 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6177 1.4871 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -1.7240 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2212 -0.1658 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0812 -0.8778 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0534 0.3834 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2487 0.1252 1.4832 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 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers