Monomers
1-Ethoxy-buta-1,3-diene
Identifiers
IUPAC name
1-ethoxybuta-1,3-diene
InchI
InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3,5-6H,1,4H2,2H3
InchI Key
LDVKFLIDEBQMNX-UHFFFAOYSA-N
SMILES
CCOC=CC=C
Canonical SMILES
CCOC=CC=C
Isomeric SMILES
CCOC=CC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.7226
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
17 16 0 0 0 0 0 0 0 0999 V2000
-1.7955 1.0122 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0031 -0.3127 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -0.9781 -0.5818 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0254 -1.3490 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1779 -0.8417 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6975 0.0912 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 0.5782 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5369 0.8279 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 1.5904 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 1.6105 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 -0.1326 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -0.8798 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4101 -2.0338 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 -1.1306 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.3708 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5072 0.3035 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2898 1.2736 -0.8691 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 2 3
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
4 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers