5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane

C17H32O2 — CID 143060734

IUPAC5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
SMILESCC.CC.COc1cc(C(C)(C)C)cc(C)c1OC
InChIInChI=1S/C13H20O2.2C2H6/c1-9-7-10(13(2,3)4)8-11(14-5)12(9)15-6;2*1-2/h7-8H,1-6H3;2*1-2H3
InChIKeyZINHAGODOPROPY-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.36
Rot. Bonds2

About 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane

5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane (PubChem CID 143060734) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
PubChem CID143060734
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
SMILESCC.CC.COc1cc(C(C)(C)C)cc(C)c1OC
InChIInChI=1S/C13H20O2.2C2H6/c1-9-7-10(13(2,3)4)8-11(14-5)12(9)15-6;2*1-2/h7-8H,1-6H3;2*1-2H3
InChIKeyZINHAGODOPROPY-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octamethoxy-2,8,14,20,26,32,38,44-octazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 102147081
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane?
The IUPAC name of 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane (CID 143060734) is 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane.
What is the SMILES notation for 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane?
The canonical SMILES for 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane is CC.CC.COc1cc(C(C)(C)C)cc(C)c1OC.
What is the InChIKey of 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane?
The InChIKey is ZINHAGODOPROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.2C2H6/c1-9-7-10(13(2,3)4)8-11(14-5)12(9)15-6;2*1-2/h7-8H,1-6H3;2*1-2H3.
What are the key properties of 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane?
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane has a molecular weight of 268.44 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane is sourced from PubChem (CID 143060734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).