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Chemical ID: 6915739
Chemical ID:
6915739
Name [?]:
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octan-6-ol
SMILES [?]:
CC1(C2CCC(O1)(CC2O)C)C
InChi [?]:
InChI=1/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,11,4,5,8,3,9,2,6,10,7/E:(1,2)/rA:12cCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s3s8;s9;s6;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O2 |
All Atoms: | 30 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.18362 |
Area: | 309.109 |
Solvation: | -2.54411 |
Coulombic: | -24.6826 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 170.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.57 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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