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
2.4444 -0.9480 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3749 -0.7054 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1281 -1.2409 0.1827 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6093 -0.9174 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 0.1257 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5946 0.9837 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 2.0076 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0583 -1.3591 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9858 0.0165 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2026 -1.6716 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2911 0.3788 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6942 -1.1979 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5349 -1.5077 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 0.3482 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 0.7833 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5902 2.6837 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 2.2206 -0.7433 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