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
-3.2371 0.6823 -1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8892 -0.3491 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 -0.1644 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 -1.1790 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3476 -0.9923 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7943 -1.7809 2.0639 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1850 -0.0220 0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 0.1151 1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2328 1.2153 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3163 1.0018 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5990 0.2511 -2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 1.3311 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0258 1.3399 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5947 -0.3307 0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9916 -1.3703 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8071 -0.2410 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 0.8404 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7675 -1.0962 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2229 -2.1842 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0325 -0.8418 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 0.1786 2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8590 2.2232 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8410 1.8234 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6999 -0.0052 -0.3390 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