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Chemical ID: 6659246
Chemical ID:
6659246
Name [?]:
4-(1-ethyl-1-methyl-propyl)-2-methyl-phenol
SMILES [?]:
CCC(C)(CC)c1ccc(c(c1)C)O
InChi [?]:
InChI=1/C13H20O/c1-5-13(4,6-2)11-7-8-12(14)10(3)9-11/h7-9,14H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,6,13,4,2,5,8,9,12,11,7,10,3,14/E:(1,2)(5,6)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;s3;s3;s5;s3;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06667 |
Area: | 374.337 |
Solvation: | -1.29176 |
Coulombic: | -18.7823 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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