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Chemical ID: 5020251
Chemical ID:
5020251
Name [?]:
2-(1,1-dimethylpropyl)-4,6-dimethyl-phenol
SMILES [?]:
CCC(C)(C)c1cc(cc(c1O)C)C
InChi [?]:
InChI=1/C13H20O/c1-6-13(4,5)11-8-9(2)7-10(3)12(11)14/h7-8,14H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,13,4,5,2,9,7,8,10,6,11,3,12/E:(4,5)/rA:14nCCCCCCCCCCCOCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s11;s10;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0809 |
Area: | 370.745 |
Solvation: | -1.18772 |
Coulombic: | -18.4312 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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