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
-2.5334 0.6424 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2255 -0.8116 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8488 -1.0765 -0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1165 -0.5026 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3256 -0.3320 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3251 0.2767 0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5387 0.4505 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6537 0.7494 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0700 1.1011 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2385 1.1808 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 -1.3904 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 -1.0795 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1472 -0.2145 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5588 -0.6306 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 0.5786 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7832 0.1529 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2906 0.9053 1.1252 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