Monomers
2-(Oxiran-2-ylmethoxy)but-3-en-1-ol
Identifiers
IUPAC name
2-(oxiran-2-ylmethoxy)but-3-en-1-ol
InchI
InChI=1S/C7H12O3/c1-2-6(3-8)9-4-7-5-10-7/h2,6-8H,1,3-5H2
InchI Key
AHXZDKFSYLCESU-UHFFFAOYSA-N
SMILES
OCC(C=C)OCC1CO1
Canonical SMILES
C=CC(CO)OCC1CO1
Isomeric SMILES
C=CC(CO)OCC1CO1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O3
Heavy Atom Count
10
Molecular Weight
144.17
Exact Molecular Weight
144.0786
Valence Electrons
58
Radical Electrons
0
tPSA
41.99
MolLogP
-0.0513
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
-1.8068 1.4207 1.4813 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1078 1.2393 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 -0.1629 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8291 -1.0384 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8290 -0.8940 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -0.4035 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2902 -1.0086 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4763 -0.4663 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7033 0.9074 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4685 -0.1708 1.1459 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3241 2.2725 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 1.9409 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7989 1.4460 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0265 -0.3783 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 -1.7908 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7107 -1.5190 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8337 -0.1534 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -2.1156 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5825 -1.0828 -2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4349 -0.9843 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7810 1.2406 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9584 1.7013 0.1896 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
3 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 8 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
4 15 1 0
5 16 1 0
5 17 1 0
7 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
9 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers