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Chemical ID: 4229371
Chemical ID:
4229371
Name [?]:
1-morpholino-3-(3,3,5-trimethylcyclohexoxy)-propan-2-ol
SMILES [?]:
CC1CC(CC(C1)(C)C)OCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C16H31NO3/c1-13-8-15(10-16(2,3)9-13)20-12-14(18)11-17-4-6-19-7-5-17/h13-15,18H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,15,19,16,18,3,7,5,13,11,2,12,4,6,14,20,17,10/E:(2,3)(4,5)(6,7)/rA:20cCCCCCCCCCOCCCNCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H31NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.14367 |
Area: | 508.664 |
Solvation: | -5.57293 |
Coulombic: | -37.9462 |
Bond Count [?]
All: | 21 |
Single: | 21 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.25 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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