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Chemical ID: 4912958
Chemical ID:
4912958
Name [?]:
1-(6-methoxy-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]oct-8-yl)ethanol
SMILES [?]:
CC(C1C2C(C(O1)OC)OC(O2)(C)C)O
InChi [?]:
InChI=1/C10H18O5/c1-5(11)6-7-8(9(12-4)13-6)15-10(2,3)14-7/h5-9,11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,9,2,3,4,5,6,11,15,8,7,12,10/E:(2,3)/rA:15cCCCCCCOOCOCOCCO/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s5;s10;s4s11;s11;s11;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 3.49891 |
Area: | 377.563 |
Solvation: | -5.94018 |
Coulombic: | -50.8262 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.08 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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