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
1.6090 0.5906 -0.6875 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 0.1067 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5891 0.4773 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4647 -0.4826 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0449 -0.1520 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 0.6688 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9710 -0.9705 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 1.5044 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -0.2401 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 -1.5025 0.0500 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