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
-1.9076 0.1070 -0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 -0.6000 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3664 0.3234 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5061 0.1825 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 1.0700 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5289 -1.4411 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -1.0399 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2313 1.1405 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3097 0.8869 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6387 -0.6293 -1.0138 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