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
-3.0319 0.6877 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3847 0.4374 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8880 -0.9599 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8724 -1.2995 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 -0.4801 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 0.3947 -0.6703 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -0.6086 1.0859 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5918 0.1281 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3708 0.0225 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 1.0555 -0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8563 1.4412 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4761 -0.2897 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3356 1.0931 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 1.2180 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 0.4983 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 -1.1283 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7550 -1.6441 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3812 -1.1839 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 -2.3619 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 1.2028 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2476 -0.2701 1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 -0.9588 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2406 0.9666 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3201 2.0389 -0.6707 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