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
2.0503 -0.9481 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4727 0.1507 0.9151 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 0.2752 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -0.8199 0.5408 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -0.4675 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 1.6361 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 1.0221 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -1.8143 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0910 -1.0621 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9638 -0.7117 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 -1.2768 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6567 -0.2122 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2296 0.4568 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 2.5659 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 1.2059 -1.9401 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