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
-3.5590 -0.0809 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6074 0.8043 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 0.8107 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7577 -0.6025 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5633 -0.7585 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 -1.9178 -0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 0.2745 -0.9052 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 0.1641 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6395 -0.2254 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4023 -0.4292 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3489 -0.0209 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5848 0.3117 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5508 -1.1192 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4905 0.3152 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9945 1.8213 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 1.2576 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5865 1.4311 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6676 -0.9436 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4773 -1.2245 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 -0.5879 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7896 1.1828 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6633 -0.3459 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4334 -0.3236 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2115 -0.7180 1.3545 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