Monomers
3,3-Dimethoxycyclopropene
Identifiers
IUPAC name
3,3-dimethoxycyclopropene
InchI
InChI=1S/C5H8O2/c1-6-5(7-2)3-4-5/h3-4H,1-2H3
InchI Key
LOWCCDYETQYXQP-UHFFFAOYSA-N
SMILES
COC1(OC)C=C1
Canonical SMILES
COC1(C=C1)OC
Isomeric SMILES
COC1(C=C1)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
18.46
MolLogP
0.5453
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
-2.2522 0.5914 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1302 1.0773 -0.4026 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 0.3652 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1604 0.8363 -0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 0.0877 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0815 -1.1125 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 -0.3587 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1273 0.6696 1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1333 1.1888 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4286 -0.4692 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0537 -0.9619 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 0.4655 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 0.1692 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 -2.0867 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 -0.4621 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
3 6 1 0
6 7 2 0
7 3 1 0
1 8 1 0
1 9 1 0
1 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers