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
-2.7502 -0.0384 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7344 0.0087 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3868 -0.5158 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1606 0.3128 0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 -0.1588 1.0457 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 -0.2268 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.5923 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7188 0.3035 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 0.6752 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9344 -1.0617 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 -0.4929 -1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5908 1.0803 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -1.5716 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 -0.3881 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5834 0.2175 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 1.3840 0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 -0.9527 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 1.3434 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4503 0.5603 -0.1375 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