Monomers
3-methylenetetrahydro-2H-pyran-2-one
Identifiers
IUPAC name
3-methylideneoxan-2-one
InchI
InChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h1-4H2
InchI Key
YGDKIQZYHCUZIC-UHFFFAOYSA-N
SMILES
C=C1CCCOC1=O
Canonical SMILES
C=C1CCCOC1=O
Isomeric SMILES
C=C1CCCOC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.8796
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.2291 -0.3834 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9592 -0.0310 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 -1.0724 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4217 -0.3696 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 0.6559 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6839 1.7589 0.3063 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6100 1.3829 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 2.2422 -0.4269 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0210 0.3381 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5386 -1.4194 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0712 -1.4557 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -1.8949 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5365 0.1538 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2612 -1.0612 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9350 0.2075 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4791 0.9485 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 2 1 0
1 9 1 0
1 10 1 0
3 11 1 0
3 12 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers