Chemical ID: 6693397

CCCCCCC(C)(C)c1cc(c2c(c1)OC(C3C2CC(=CC3)CO)(C)C)O
Chemical ID:
6693397
Name [?]:
None
SMILES [?]:
CCCCCCC(C)(C)c1cc(c2c(c1)OC(C3C2CC(=CC3)CO)(C)C)O
InChi [?]:
InChI=1/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,9,26,27,2,3,4,5,22,23,6,20,11,15,24,21,10,19,18,12,14,13,7,17,25,28,16/E:(2,3)(4,5)/rA:28cCCCCCCCCCCCCCCCOCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s7;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s19;s20;d21;s18s22;s21;s24;s17;s17;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H38O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.204
Area:625.486
Solvation:-3.43314
Coulombic:-44.1704
Bond Count [?]
All:30
Single:26
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.567
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.54
LogP (Chemaxon):5.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue