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
-1.9406 0.0972 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9900 -0.6814 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9483 -1.6642 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3779 -1.2879 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7866 -0.0960 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 0.2860 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5971 1.4801 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -0.2936 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 1.1514 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9428 0.1030 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9610 -1.2422 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8689 -0.0059 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -1.9994 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 0.6346 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8978 -0.4391 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6298 1.7711 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8714 2.1862 1.3851 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