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
2.0160 -0.7854 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4350 0.4809 -0.7093 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1734 0.4657 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7387 -0.3440 -0.7959 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9939 -0.3291 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 0.5111 1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2487 1.6686 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1351 -1.2221 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9960 -0.7926 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3318 -1.4176 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 0.6673 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6890 -1.0006 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8546 -0.7558 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3160 0.1813 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6079 2.6722 0.7172 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