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
-3.0575 -0.0345 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6326 -0.5331 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 0.2762 -0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 -0.1084 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 0.0792 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 -0.2316 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4695 0.6045 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7538 -0.8936 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2987 0.8160 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1297 0.2928 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6141 -1.6101 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 -0.3390 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 0.1480 -1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8164 1.3389 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2800 0.5995 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9143 -1.1234 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6793 -1.1828 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4945 0.3482 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2840 1.5531 -0.0155 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