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Chemical ID: 6046608
Chemical ID:
6046608
Name [?]:
4-hexoxy-2,3,6-trimethyl-phenol
SMILES [?]:
CCCCCCOc1cc(c(c(c1C)C)O)C
InChi [?]:
InChI=1/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,14,15,2,3,4,5,6,9,10,13,12,8,11,16,7/rA:17nCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19339 |
Area: | 463.86 |
Solvation: | -2.40311 |
Coulombic: | -25.1182 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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