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
-3.5603 0.5053 -1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3007 -0.2756 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7509 0.0833 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.6624 0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6342 -0.4340 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5282 0.3602 -1.0656 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8314 -1.0849 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 -0.9225 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5285 0.4113 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0494 1.3616 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2448 0.3745 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0206 0.0047 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3538 1.5802 -1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5895 -0.2376 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6385 -1.3537 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5430 -0.0585 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 1.1997 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7455 -1.7561 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2447 -0.3681 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7184 -1.6996 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6732 -1.1979 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4175 0.6222 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5378 2.3451 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1953 1.2028 0.7966 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