Monomers
Vinyl butyrate
Identifiers
IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
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
18 17 0 0 0 0 0 0 0 0999 V2000
-3.0331 -0.2542 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5426 -0.5149 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.8097 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6321 0.6513 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3164 1.6839 0.3235 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2768 -0.5282 -0.0754 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6163 -0.7786 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5991 0.0839 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2581 0.8257 0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 -0.7824 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3862 -0.7379 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -0.9120 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 -1.2841 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1387 1.4655 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1894 1.2095 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9044 -1.8284 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 1.1382 0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6491 -0.2469 -0.0690 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 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers