Chemical ID: 4229371

CC1CC(CC(C1)(C)C)OCC(CN2CCOCC2)O
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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