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
-1.9649 0.9991 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 -0.2323 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 -0.9993 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7312 -1.5681 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3445 -0.6036 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 -0.4026 -1.0238 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9119 0.1484 1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9517 1.0652 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 0.2670 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5014 0.5529 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4036 0.9018 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2548 1.2440 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7026 1.8391 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7609 0.0919 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 -0.8445 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9686 -0.3030 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7808 -1.7924 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -2.3971 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 -2.1196 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3042 1.4994 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6632 1.8540 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 -0.5180 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0347 1.3288 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 -0.0113 -1.4006 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