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
-1.5191 0.9301 -2.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6768 0.7669 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 -0.5188 -1.4123 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 -0.8179 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4201 -0.5334 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3262 -0.8789 1.9993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9847 -0.5964 3.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5651 0.6634 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 0.2823 -3.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 1.9970 -2.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1019 1.5444 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3466 0.8400 -0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7070 -1.2982 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5222 -0.0480 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2641 -1.3596 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0692 -0.1206 3.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 -0.8523 4.0559 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