tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate

C16H24O3 — CID 159419892

IUPACtert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate
SMILESCOc1c(C)c(C)c(C)c(C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O3/c1-9-10(2)12(4)14(18-8)13(11(9)3)15(17)19-16(5,6)7/h1-8H3
InChIKeyUTRVQRBHVBVIAG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.88
Rot. Bonds2

About tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate

tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate (PubChem CID 159419892) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate
PubChem CID159419892
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nametert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate
SMILESCOc1c(C)c(C)c(C)c(C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O3/c1-9-10(2)12(4)14(18-8)13(11(9)3)15(17)19-16(5,6)7/h1-8H3
InChIKeyUTRVQRBHVBVIAG-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,3,4,5,6-pentamethylbenzoate
CID 22996594
tert-butyl 2,6-dibromo-4-methoxy-3,5-dimethylbenzoate
CID 141122399
tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxylate
CID 10680818
tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
tert-butyl 3-chloro-2,6-dimethylbenzoate
CID 170757058
tert-butyl 6-(3,4-difluoro-2-methoxyphenoxy)-2-methyl-3-(trifluoromethyl)benzoate
CID 154645445
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
tert-butyl 3-fluoro-6-iodo-2-methylbenzoate
CID 170756952
tert-butyl 3-bromo-2-hydroxy-6-methoxybenzoate
CID 170993430
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate?
The IUPAC name of tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate (CID 159419892) is tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate.
What is the SMILES notation for tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate?
The canonical SMILES for tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate is COc1c(C)c(C)c(C)c(C)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate?
The InChIKey is UTRVQRBHVBVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-9-10(2)12(4)14(18-8)13(11(9)3)15(17)19-16(5,6)7/h1-8H3.
What are the key properties of tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate?
tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate has a molecular weight of 264.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxy-3,4,5,6-tetramethylbenzoate is sourced from PubChem (CID 159419892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).