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
3.2197 0.0397 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 -0.1698 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9711 0.8111 -0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3225 0.8388 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2607 0.0542 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6169 0.1242 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5799 -0.6463 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5112 1.0983 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9780 -0.6193 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0592 -0.1129 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4439 -1.1608 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -0.0391 1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 1.5314 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -0.6501 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8429 0.8188 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3486 -1.3418 -1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5543 -0.5763 0.1868 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