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Chemical ID: 3968273
Chemical ID:
3968273
Name [?]:
2,6-diisopropylphenol
SMILES [?]:
CC(C)c1cccc(c1O)C(C)C
InChi [?]:
InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,6,5,7,2,11,4,8,9,10/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13nCCCCCCCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s8;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77375 |
Area: | 361.467 |
Solvation: | -1.26291 |
Coulombic: | -18.8345 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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