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
-2.6589 0.7579 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2864 -0.5084 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9536 -0.5028 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0851 -0.4049 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3294 -0.1878 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4397 -0.0813 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6668 0.1342 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5556 0.5451 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8364 1.0045 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 1.5938 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4237 -1.3579 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -0.6696 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 -0.5075 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 -0.0877 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2370 -0.1848 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4881 0.2121 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9232 0.2451 -1.0401 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