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
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
2.5696 -0.1209 0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 0.6774 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0643 -0.1054 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0078 -0.5351 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2055 -1.2638 -1.0642 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4161 -0.5911 -0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7468 0.4988 -1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1234 0.3167 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1947 -0.0390 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3631 -1.1734 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2327 1.0096 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 1.5862 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0631 -1.0017 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7975 0.5437 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 -1.1180 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0833 0.3849 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0955 -0.9803 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 0.9852 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1175 0.9261 -2.2030 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