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
-1.1191 -1.0849 0.9707 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8685 0.1896 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3700 0.0578 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4546 -0.0576 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9812 -0.9556 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 0.2577 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9516 0.9365 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9548 1.0519 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 0.4519 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5213 -0.8474 -1.7846 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