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
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
-2.5154 0.5272 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9858 -0.5221 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7851 -1.0896 1.0199 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -0.4504 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9838 -0.5569 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 0.0771 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2598 0.6275 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7148 1.0343 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3066 0.1516 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9879 1.3408 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 -1.3675 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 -0.2035 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 0.1634 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3925 -1.1883 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1290 -0.4071 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7930 1.2501 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8452 0.6133 -1.9315 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