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
3.7201 1.2908 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 0.0179 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4568 0.2042 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7952 -1.1385 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6483 -1.1079 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 -2.1520 0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2792 0.0575 0.6822 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 0.0630 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4144 -0.3126 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2854 0.5299 -0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8215 1.8416 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3557 1.9248 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7720 0.9752 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1133 -0.3376 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3502 -0.7740 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3667 0.5622 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0769 0.9073 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3037 -1.9429 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 -1.4018 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9157 -0.6921 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0017 1.0469 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2421 -1.2886 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4290 1.4885 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8205 0.2381 -1.7636 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