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
-4.2072 0.7739 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9567 -0.0508 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 0.5416 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5717 -0.3200 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 0.2225 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 1.2589 -1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8441 -0.3498 -0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 0.2366 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1660 -0.4741 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3742 -1.5522 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 1.6226 1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2228 1.1706 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0685 0.0719 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1472 -1.0555 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7317 -0.0809 1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0556 0.6499 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 1.5613 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4099 -0.3901 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8375 -1.3511 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0238 1.2660 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6359 0.3337 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9918 -0.0374 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3530 -2.0151 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5976 -2.0324 0.1663 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