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
-3.3406 0.6697 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4093 1.1772 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0109 0.6308 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 -0.8740 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2630 -1.4969 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4115 -2.7447 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4028 -0.7409 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6922 -1.2575 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6308 -0.1158 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2232 1.1484 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2717 1.2925 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5725 -0.4042 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8971 0.7104 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3997 2.3010 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8442 0.9494 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4084 0.9941 -1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 0.9362 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7313 -1.3194 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 -1.1159 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 -1.7459 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8042 -1.9797 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 -0.3014 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8972 1.9629 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1418 1.3239 0.2557 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