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
2.9978 -1.2932 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0150 -0.3465 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7095 -0.8805 0.0043 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2704 -0.0595 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 0.1586 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4491 1.0045 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6085 1.2367 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0285 -2.2549 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9987 -0.8055 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 -1.5078 1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 0.6113 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3700 -0.1255 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 0.4261 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6049 -0.3147 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2650 1.4879 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8499 0.7911 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3581 1.8720 -0.3959 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