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Chemical ID: 6658238
Chemical ID:
6658238
Name [?]:
2-methyl-4-(1,1,3,3-tetramethylbutyl)phenol
SMILES [?]:
Cc1cc(ccc1O)C(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,10,11,5,6,3,12,2,4,7,13,9,8/E:(2,3,4)(5,6)/rA:16nCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s9;s9;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77053 |
Area: | 404.495 |
Solvation: | -1.34186 |
Coulombic: | -19.1664 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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