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
-1.9641 0.3233 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 0.7833 0.1515 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -0.1908 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 0.3103 0.9335 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9043 1.1292 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 -1.5125 0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3229 -1.3684 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -0.2608 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5973 1.2040 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5011 -0.2484 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0532 0.4910 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2081 1.9623 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8556 1.5700 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5453 -2.2644 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5743 -1.9281 -1.3255 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