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Chemical ID: 6046318
Chemical ID:
6046318
Name [?]:
8-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-ol
SMILES [?]:
CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C
InChi [?]:
InChI=1/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,16,17,4,5,7,8,9,10,2,14,12,3,11,6,15,13/E:(1,2)(3,4)/rA:18cCCOCCOCCCCOOOCOCCC/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;s9;s7s10;s10;s9;s13;s8s14;s14;s14;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O6 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.8331 |
Area: | 425.457 |
Solvation: | -5.80332 |
Coulombic: | -59.9055 |
Bond Count [?]
All: | 20 |
Single: | 20 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 260.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.27 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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