Monomers
Butyl vinyl ether
Identifiers
IUPAC name
1-ethenoxybutane
InchI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InchI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES
CCCCOC=C
Canonical SMILES
CCCCOC=C
Isomeric SMILES
CCCCOC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.9466
H Bond Acceptors
1
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
19 18 0 0 0 0 0 0 0 0999 V2000
-2.6400 0.6510 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 -0.3087 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 0.0617 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 -0.0049 0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 0.3247 0.9177 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4473 -0.4078 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7169 -0.1032 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0140 0.1451 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5286 1.0594 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 1.5304 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3006 -0.2692 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0102 -1.3474 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 -0.6877 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 1.0575 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -1.0745 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4962 0.5885 1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1368 -1.2586 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4321 -0.6932 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0542 0.7370 0.8715 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 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
4 15 1 0
4 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers