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
-2.7103 -0.3879 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2269 0.3355 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9433 -0.1937 1.0581 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0568 -0.0656 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 -0.0497 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4005 0.0835 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6693 0.1003 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 -1.0616 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9606 0.3233 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6227 -1.0131 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9355 0.2553 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0322 1.3988 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 0.0296 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6069 -0.1403 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 0.1726 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4044 0.2022 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9614 0.0109 0.7720 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