Chemical ID: 6492979

CCCCCCc1cc(c(cc1O)O)C(=O)CCCCCC
Chemical ID:
6492979
Name [?]:
1-(5-hexyl-2,4-dihydroxy-phenyl)heptan-1-one
SMILES [?]:
CCCCCCc1cc(c(cc1O)O)C(=O)CCCCCC
InChi [?]:
InChI=1/C19H30O3/c1-3-5-7-9-11-15-13-16(19(22)14-18(15)21)17(20)12-10-8-6-4-2/h13-14,21-22H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,20,4,19,5,18,6,17,8,11,7,9,15,12,10,16,13,14/rA:22nCCCCCCCCCCCCOOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s10;s9;d15;s15;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7228
Area:582.32
Solvation:-3.83523
Coulombic:-41.1513
Bond Count [?]
All:22
Single:18
Double:4
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:306.44
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.97
LogP (Chemaxon):6.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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