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Chemical ID: 6129390
Chemical ID:
6129390
Name [?]:
3-dimethylamino-1-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)propan-1-ol
SMILES [?]:
CN(C)CCC(c1ccc2c(c1)OCCCO2)O
InChi [?]:
InChI=1/C14H21NO3/c1-15(2)7-6-12(16)11-4-5-13-14(10-11)18-9-3-8-17-13/h4-5,10,12,16H,3,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,8,9,5,4,16,14,12,7,6,10,11,2,18,17,13/E:(1,2)/rA:18cCNCCCCCCCCCCOCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;s10s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.40683 |
Area: | 445.751 |
Solvation: | -4.73695 |
Coulombic: | -36.9115 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.5 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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