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
2.2975 -0.3700 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2889 -0.6561 -1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 -0.2850 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9910 -0.5581 -1.6337 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2285 -0.1531 -1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 1.1241 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 0.0945 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 -0.9053 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4352 0.7242 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2456 -0.7845 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0278 -0.3816 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2691 0.9167 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3575 -0.7803 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0926 2.1506 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4315 -0.1361 1.6601 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