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
-2.2030 1.3776 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 0.0090 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3420 -0.1882 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2463 -1.5099 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5481 -1.5813 0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5235 -0.6582 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6684 0.5015 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0569 1.2979 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5122 2.0273 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 1.9317 0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4242 -0.7478 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7974 -0.0579 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 -0.0934 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2752 0.6233 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3782 -2.3166 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3162 -1.6489 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1979 -0.9207 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0122 0.7871 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4425 1.1675 0.2446 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