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
1.6007 -0.1006 -0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7164 -0.5319 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3012 0.4972 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 0.2108 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3105 0.4594 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1927 -1.4634 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 -0.7533 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 1.4812 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8637 -0.7496 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3125 0.9503 0.4286 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