Chemical ID: 6129390

CN(C)CCC(c1ccc2c(c1)OCCCO2)O
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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Descriptor Annotations

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