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
-1.8323 0.1131 0.5976 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8353 -0.5028 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 0.3934 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5322 0.0057 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7203 1.0835 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5235 -1.4507 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2260 -0.6744 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 1.3685 -0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4095 0.6224 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6394 -0.9585 0.6226 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