Chemical ID: 5326842

CCCCCCC(C)(C)c1ccc(c(c1)O)C2CC(CCC2CCCO)O
Chemical ID:
5326842
Name [?]:
5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-phenol
SMILES [?]:
CCCCCCC(C)(C)c1ccc(c(c1)O)C2CC(CCC2CCCO)O
InChi [?]:
InChI=1/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,2,3,4,5,24,23,21,11,20,12,6,25,15,18,22,10,19,13,17,14,7,26,27,16/E:(2,3)/rA:27cCCCCCCCCCCCCCCCOCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s7;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;s19;s20;s17s21;s22;s23;s24;s25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H40O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:12.1413
Area:644.747
Solvation:-3.97733
Coulombic:-53.3251
Bond Count [?]
All:28
Single:25
Double:3
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.573
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:5.79
LogP (Chemaxon):6.17

Name Annotations

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Descriptor Annotations

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