tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate

C18H28O3 — CID 118443288

IUPACtert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate
SMILESCCc1cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O3/c1-9-13-10-12(2)15(14(11-13)17(3,4)5)20-16(19)21-18(6,7)8/h10-11H,9H2,1-8H3
InChIKeyIMISJSPEZQYIJQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.17
Rot. Bonds2

About tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate

tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate (PubChem CID 118443288) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate.

Molecular Properties

Compound Nametert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate
PubChem CID118443288
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Nametert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate
SMILESCCc1cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O3/c1-9-13-10-12(2)15(14(11-13)17(3,4)5)20-16(19)21-18(6,7)8/h10-11H,9H2,1-8H3
InChIKeyIMISJSPEZQYIJQ-UHFFFAOYSA-N
XLogP5.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

tert-butyl [2,6-ditert-butyl-4-[3-(2,6-ditert-butyl-4-ethylphenoxy)carbonyloxy-2,3-dimethylbutan-2-yl]phenyl] carbonate
CID 130217740
tert-butyl [4-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methyl]-2,6-dimethylphenyl] carbonate
CID 163440793
(4-tert-butyl-3-methylphenyl) 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
CID 118443347
tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate
CID 118443320
tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
CID 145439931
(2R)-2-hydroxy-3-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-(trifluoromethyl)phenyl]propanoate
CID 58534937
[2-[3-[1-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
CID 118136778
[2,3,4,5,6-pentakis[3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]cyclohexyl] 3-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
CID 118907163
(4-bromo-2,6-dimethylphenyl) tert-butyl carbonate
CID 67213327
2-[2-[bis[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl-[2-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]ethyl]amino]ethyl 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate;[4-[3,5-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenyl] tert-butyl carbonate
CID 159496519
[4-[[4,6-bis[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-1,3,5-triazin-2-yl]oxy]-2,6-ditert-butylphenyl] tert-butyl carbonate
CID 130208235
tert-butyl [2,6-ditert-butyl-4-[[3-[3,5-ditert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]anilino]-2,2-bis[[3,5-ditert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]anilino]methyl]propyl]-methylamino]phenyl] carbonate
CID 118443368

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate?
The IUPAC name of tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate (CID 118443288) is tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate.
What is the SMILES notation for tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate?
The canonical SMILES for tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate is CCc1cc(C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate?
The InChIKey is IMISJSPEZQYIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-9-13-10-12(2)15(14(11-13)17(3,4)5)20-16(19)21-18(6,7)8/h10-11H,9H2,1-8H3.
What are the key properties of tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate?
tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate has a molecular weight of 292.42 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-tert-butyl-4-ethyl-6-methylphenyl) carbonate is sourced from PubChem (CID 118443288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).