Chemical ID: 5646770

CCOC12CC3CC(C1)CC(C3)(O2)CO
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

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Experimental Annotations

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Descriptor Annotations

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