Monomers
Propane, 2-(ethenyloxy)-
Identifiers
IUPAC name
2-ethenoxypropane
InchI
InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
InchI Key
GNUGVECARVKIPH-UHFFFAOYSA-N
SMILES
C=COC(C)C
Canonical SMILES
CC(C)OC=C
Isomeric SMILES
CC(C)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10O
Heavy Atom Count
6
Molecular Weight
86.134
Exact Molecular Weight
86.0732
Valence Electrons
36
Radical Electrons
0
tPSA
9.23
MolLogP
1.5549
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.4013 -0.2644 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 0.2980 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4736 0.7781 -0.5441 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4965 0.3086 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7973 1.0567 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7719 -1.1438 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 -0.3974 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4029 -0.6175 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2708 0.4021 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1542 0.3155 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 1.6413 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9905 1.7920 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6569 0.3852 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1502 -1.2216 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0972 -1.7877 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -1.5453 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
6 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers