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
-1.4252 -1.1340 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6847 -0.6387 -0.7393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 0.5170 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8588 0.3219 0.7277 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.5834 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9392 1.7144 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0736 1.6741 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9309 -2.0616 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7772 -1.4709 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 -0.3555 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 -0.2700 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3976 -1.5790 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 -0.6551 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7579 2.2802 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5139 2.2407 -1.9871 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