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
-3.2251 -0.4571 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9132 0.2642 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 -0.5980 -0.4588 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2978 -0.2091 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3009 -0.1833 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 0.2344 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6531 0.2740 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0533 0.2907 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2180 -0.9498 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 -1.2034 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5210 0.7028 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 1.1322 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4704 0.0902 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1440 -0.4832 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 0.5355 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6449 0.5811 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5026 -0.0212 1.4705 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