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Chemical ID: 4770866
Chemical ID:
4770866
Name [?]:
3-methoxy-1,2,4,5-tetramethyl-benzene
SMILES [?]:
Cc1cc(c(c(c1C)OC)C)C
InChi [?]:
InChI=1/C11H16O/c1-7-6-8(2)10(4)11(12-5)9(7)3/h6H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,8,11,10,3,2,4,7,5,6,9/E:(1,2)(3,4)(7,8)(9,10)/rA:12nCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s5;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71097 |
Area: | 332.362 |
Solvation: | -1.59808 |
Coulombic: | -8.40293 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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