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
3.1430 -0.2983 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6430 -0.3140 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 -0.2804 -0.8193 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2841 -0.2838 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 0.2048 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5373 0.2031 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3460 0.6967 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3451 0.3828 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6862 0.0166 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4609 -1.3036 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 -1.1695 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3352 0.6429 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6991 -0.6932 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.6095 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9173 -0.2016 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9764 1.1071 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4060 0.6810 0.3587 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