Monomers
6,6-Dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
Identifiers
IUPAC name
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
InchI
InChI=1S/C8H12O2/c1-7(2)5-9-8(3-4-8)10-6-7/h3-4H,5-6H2,1-2H3
InchI Key
AINMINDCBBSFAO-UHFFFAOYSA-N
SMILES
CC1(C)COC2(OC1)C=C2
Canonical SMILES
CC1(COC2(C=C2)OC1)C
Isomeric SMILES
CC1(COC2(C=C2)OC1)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12O2
Heavy Atom Count
10
Molecular Weight
140.182
Exact Molecular Weight
140.0837
Valence Electrons
56
Radical Electrons
0
tPSA
18.46
MolLogP
1.3255
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
-2.0390 -1.1473 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9068 -0.1661 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 1.1639 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0991 -0.6871 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 0.2953 1.3686 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 0.5321 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8202 1.0174 -0.8141 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 0.0428 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0704 1.0703 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 -0.2146 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 -1.3161 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7087 -2.0734 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8169 -0.6976 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7252 1.9014 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 1.0667 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0600 1.5420 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 -1.5502 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3365 -0.9987 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -0.8807 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8348 0.3909 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8587 1.7895 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3093 -1.0804 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
6 9 1 0
9 10 2 0
8 2 1 0
10 6 1 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
3 15 1 0
3 16 1 0
4 17 1 0
4 18 1 0
8 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers