Chemical ID: 5120128

CC(C)(C)c1ccccc1OC
Chemical ID:
5120128
Name [?]:
1-methoxy-2-tert-butyl-benzene
SMILES [?]:
CC(C)(C)c1ccccc1OC
InChi [?]:
InChI=1/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,7,8,6,9,5,10,2,11/E:(1,2,3)/rA:12nCCCCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.64086
Area:327.991
Solvation:-1.55892
Coulombic:-9.54436
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.244
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.54
LogP (Chemaxon):3.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue