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
2.2797 0.0283 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 0.1448 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1142 -1.0255 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1872 -0.7937 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 0.5217 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9757 1.5510 -0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4031 1.4284 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2080 2.3583 -0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7151 -0.9009 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9239 0.8542 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1453 -1.0724 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -1.9685 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8709 -0.6615 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8792 -1.6238 -0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5522 0.5357 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8151 0.6240 -0.1137 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