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
1.7171 -0.9438 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8815 0.0352 -0.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0441 0.5842 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 -0.3139 0.7865 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 -0.9452 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4007 1.7565 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5133 1.9109 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 -0.5746 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 -1.8518 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -1.2485 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3137 -0.2394 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -1.6443 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -1.5686 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8577 2.3668 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 2.6765 -0.7144 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