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
3.2787 0.4658 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0296 -0.2832 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9499 0.1122 0.4272 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 -0.5007 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3670 0.2483 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -0.3948 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7403 0.3499 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1343 -0.1824 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 0.6045 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3147 1.4630 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7219 -0.0815 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1660 -1.3777 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 -1.5475 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3103 1.2954 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7035 -1.4519 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6922 -0.1096 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7259 1.3902 0.3488 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