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Chemical ID: 5646770
Chemical ID:
5646770
Name [?]:
None
SMILES [?]:
CCOC12CC3CC(C1)CC(C3)(O2)CO
InChi [?]:
InChI=1/C12H20O3/c1-2-14-12-6-9-3-10(7-12)5-11(4-9,8-13)15-12/h9-10,13H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,10,12,9,5,14,8,6,11,4,15,3,13/E:(4,5)(6,7)(9,10)/rA:15cCCOCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.76261 |
Area: | 360.622 |
Solvation: | -4.25294 |
Coulombic: | -32.9559 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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