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
-2.3372 0.1314 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2529 -0.6193 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0414 -0.1477 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 -0.9068 -0.7086 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2316 -0.3926 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0592 0.3699 1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1885 1.2232 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.1740 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 1.1321 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 -0.3904 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 -0.3999 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 0.6298 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0571 -1.0643 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 0.1106 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3573 2.2639 -0.1500 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