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
1.7667 0.1584 0.6542 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 0.5819 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3099 -0.4874 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5409 -0.2927 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3161 -0.4503 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2306 1.4329 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0412 0.8980 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 -1.3888 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2906 -1.0563 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 0.6044 0.5967 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