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
-2.7397 -0.5819 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1212 0.6691 -0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9811 0.9810 0.0921 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0695 0.0859 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 0.4972 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3992 -0.4272 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6268 -0.0319 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4402 -0.6834 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8505 -0.6035 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3159 -1.4385 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 0.5939 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8696 1.4980 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1419 -0.9227 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 1.5174 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2527 -1.4511 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4573 -0.6910 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7974 0.9887 -0.7195 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