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
1.4722 -0.5455 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4198 0.3535 -0.9765 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1023 0.4405 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9598 1.3459 0.6087 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0402 0.8275 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0758 0.1791 1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0179 -0.8316 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1654 -1.5465 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6559 -0.5490 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3974 -0.2281 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9379 1.4544 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2158 -0.2386 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 0.7969 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9122 0.3280 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2873 -1.7865 1.5065 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