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
-1.8648 -0.8582 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 -1.0016 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 0.2138 -0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2067 -0.7889 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 -0.4768 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 1.4405 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 1.3060 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4290 -0.2654 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3060 -1.8744 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9492 -0.4088 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8702 -1.5380 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2523 -0.0284 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 -0.4830 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 2.1359 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 1.6318 1.5635 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