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
-2.3754 0.5682 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0830 -0.9007 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6883 -1.1329 -0.8899 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -0.8723 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2413 -0.1210 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 0.1736 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2369 0.9226 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4178 0.7797 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 1.2378 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2958 0.7611 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 -1.1328 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5760 -1.5031 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0090 -1.2723 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4420 0.2934 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9656 -0.2498 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4187 1.3230 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 1.1255 1.5799 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