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
-1.9000 0.4055 0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -0.3560 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3908 -0.2228 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5073 0.2503 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5267 1.0827 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1546 -1.4482 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7716 -0.0854 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 -0.5309 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4238 0.3452 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 0.5597 -1.1520 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