tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate

C16H24O5 — CID 59950369

IUPACtert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
SMILESCOC(C)OCCOc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O5/c1-12(18-5)19-10-11-20-14-9-7-6-8-13(14)15(17)21-16(2,3)4/h6-9,12H,10-11H2,1-5H3
InChIKeyXGLVXLVOHOAXQK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.03
Rot. Bonds7

About tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate

tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate (PubChem CID 59950369) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
PubChem CID59950369
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
SMILESCOC(C)OCCOc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O5/c1-12(18-5)19-10-11-20-14-9-7-6-8-13(14)15(17)21-16(2,3)4/h6-9,12H,10-11H2,1-5H3
InChIKeyXGLVXLVOHOAXQK-UHFFFAOYSA-N
XLogP3.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(6-bromohexoxy)benzoate
CID 166524944
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
tert-butyl 2-butoxybenzoate;methylcarbamic acid
CID 143334798
tert-butyl 2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoate
CID 166453104
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
tert-butyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 86801576
tert-butyl 2-[2-[(E)-4-(4-bromophenyl)but-3-enyl]sulfanylethoxy]benzoate
CID 166336100
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
CID 150504072

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate?
The IUPAC name of tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate (CID 59950369) is tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate.
What is the SMILES notation for tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate?
The canonical SMILES for tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate is COC(C)OCCOc1ccccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate?
The InChIKey is XGLVXLVOHOAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-12(18-5)19-10-11-20-14-9-7-6-8-13(14)15(17)21-16(2,3)4/h6-9,12H,10-11H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate?
tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate has a molecular weight of 296.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate is sourced from PubChem (CID 59950369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).