Chemical ID: 5754672

CCCCOCC(CN1CCCC1)O
Chemical ID:
5754672
Name [?]:
1-butoxy-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
CCCCOCC(CN1CCCC1)O
InChi [?]:
InChI=1/C11H23NO2/c1-2-3-8-14-10-11(13)9-12-6-4-5-7-12/h11,13H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,10,13,4,8,6,7,9,14,5/E:(4,5)(6,7)/rA:14cCCCCOCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s9s12;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H23NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.05682
Area:416.373
Solvation:-4.3525
Coulombic:-29.0988
Bond Count [?]
All:14
Single:14
Double:0
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:201.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.06
LogP (Chemaxon):1.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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