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Chemical ID: 6658943
Chemical ID:
6658943
Name [?]:
2,5-ditert-butylphenol
SMILES [?]:
CC(C)(C)c1ccc(c(c1)O)C(C)(C)C
InChi [?]:
InChI=1/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,15,6,7,10,5,8,9,2,12,11/E:(1,2,3)(4,5,6)/rA:15nCCCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50897 |
Area: | 388.984 |
Solvation: | -1.21562 |
Coulombic: | -19.0583 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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