Chemical ID: 6492984

CCCCCCc1cc(c(cc1O)O)C(=O)CCCCC
Chemical ID:
6492984
Name [?]:
1-(5-hexyl-2,4-dihydroxy-phenyl)hexan-1-one
SMILES [?]:
CCCCCCc1cc(c(cc1O)O)C(=O)CCCCC
InChi [?]:
InChI=1/C18H28O3/c1-3-5-7-9-10-14-12-15(18(21)13-17(14)20)16(19)11-8-6-4-2/h12-13,20-21H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,20,3,19,4,18,5,6,17,8,11,7,9,15,12,10,16,13,14/rA:21nCCCCCCCCCCCCOOCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s10;s9;d15;s15;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.99522
Area:553.455
Solvation:-3.84116
Coulombic:-40.8493
Bond Count [?]
All:21
Single:17
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.413
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.4
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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