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
4.0447 -0.5153 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9286 -0.2067 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6125 0.0212 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5768 0.3173 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7725 0.5623 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9264 0.5056 -1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8822 0.8554 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1702 1.0946 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8683 0.0131 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4444 -1.1901 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6746 -0.5852 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4514 -1.5183 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8633 0.2022 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8006 -1.0229 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1948 0.6980 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7143 0.8205 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3848 -0.9328 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 1.2545 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4783 -0.5205 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7818 1.3277 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2822 2.0124 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8957 0.2492 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 -1.5176 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0666 -1.9246 -0.9812 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