Monomers
Allyl alcohol
Identifiers
IUPAC name
prop-2-en-1-ol
InchI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InchI Key
XXROGKLTLUQVRX-UHFFFAOYSA-N
SMILES
OCC=C
Canonical SMILES
C=CCO
Isomeric SMILES
C=CCO
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H6O
Heavy Atom Count
4
Molecular Weight
58.08
Exact Molecular Weight
58.0419
Valence Electrons
24
Radical Electrons
0
tPSA
20.23
MolLogP
0.1647
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-0.8325 0.6308 1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7435 -0.1316 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -0.3606 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 0.0300 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7258 1.0390 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -1.1314 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3417 0.3813 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3210 -0.8783 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5171 0.5502 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 -0.1294 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
1 5 1 0
2 6 1 0
2 7 1 0
3 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers