2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane

C20H36O — CID 177164254

IUPAC2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane
SMILESCC.CCC(C)(C)c1cc(C)cc(COC)c1C(C)(C)C
InChIInChI=1S/C18H30O.C2H6/c1-9-18(6,7)15-11-13(2)10-14(12-19-8)16(15)17(3,4)5;1-2/h10-11H,9,12H2,1-8H3;1-2H3
InChIKeyPLVLMGZCFUIBML-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.15
Rot. Bonds4

About 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane

2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane (PubChem CID 177164254) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane.

Molecular Properties

Compound Name2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane
PubChem CID177164254
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane
SMILESCC.CCC(C)(C)c1cc(C)cc(COC)c1C(C)(C)C
InChIInChI=1S/C18H30O.C2H6/c1-9-18(6,7)15-11-13(2)10-14(12-19-8)16(15)17(3,4)5;1-2/h10-11H,9,12H2,1-8H3;1-2H3
InChIKeyPLVLMGZCFUIBML-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-ditert-butyl-4-(methoxymethyl)benzene-1,2-diol
CID 2864582
2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene
CID 176702858
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
[2-tert-butyl-6-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]methyl]-4-methylphenyl] prop-2-enoate
CID 154399243
2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate
CID 118042291
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane?
The IUPAC name of 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane (CID 177164254) is 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane.
What is the SMILES notation for 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane?
The canonical SMILES for 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane is CC.CCC(C)(C)c1cc(C)cc(COC)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane?
The InChIKey is PLVLMGZCFUIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O.C2H6/c1-9-18(6,7)15-11-13(2)10-14(12-19-8)16(15)17(3,4)5;1-2/h10-11H,9,12H2,1-8H3;1-2H3.
What are the key properties of 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane?
2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane has a molecular weight of 292.51 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane is sourced from PubChem (CID 177164254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).