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
2.5562 0.1827 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 -0.1018 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5470 -0.6821 -0.5047 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4955 -0.1957 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0042 1.1564 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6684 -1.1710 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5274 0.6406 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2340 -0.0495 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 0.1313 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2549 -0.1776 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7701 1.0736 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2241 1.8761 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 1.5534 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4998 -0.9325 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 -2.2019 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9384 -1.1020 -0.9652 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