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
2.5561 0.3163 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7903 -0.9094 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7551 -0.7013 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3009 0.2654 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 1.4880 -0.7957 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5483 -0.0982 -0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5673 0.7734 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 0.2205 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 1.2667 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8165 0.2304 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5353 0.4215 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3657 -1.4003 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 -1.6431 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2888 -0.3901 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3231 -1.7099 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4553 1.8466 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 0.8658 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8663 -0.8424 0.5776 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