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
-3.8343 0.5608 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3075 -0.3425 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -0.8096 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 0.2651 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4510 -0.4026 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5509 -1.6548 -0.0641 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6130 0.3287 -0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8292 -0.3361 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 0.6727 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9335 0.7012 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8550 1.6096 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9090 0.3176 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2297 0.4186 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3997 0.1352 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 -1.2355 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 -1.4116 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6423 -1.4933 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0335 0.9637 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8616 0.8909 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7271 -0.9274 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0723 -1.0715 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8801 1.4288 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7146 1.4308 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0059 -0.0389 1.2595 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