methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate

C21H38O4Si2 — CID 11258393

IUPACmethyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-12-16(14-19(22)23-7)13-18(15-17)25-27(10,11)21(4,5)6/h12-13,15H,14H2,1-11H3
InChIKeyFJVZETLIUDUPMP-UHFFFAOYSA-N
MW410.70 g/mol
LogP6.17
Rot. Bonds6

About methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate

methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate (PubChem CID 11258393) has the molecular formula C21H38O4Si2 and a molecular weight of 410.70 g/mol. Its IUPAC name is methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
PubChem CID11258393
Molecular FormulaC21H38O4Si2
Molecular Weight410.70 g/mol
Exact Mass410.23
IUPAC Namemethyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-12-16(14-19(22)23-7)13-18(15-17)25-27(10,11)21(4,5)6/h12-13,15H,14H2,1-11H3
InChIKeyFJVZETLIUDUPMP-UHFFFAOYSA-N
XLogP6.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
CID 59524403
methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
CID 57443556
methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]acetate
CID 139995151
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate
CID 176630796
methyl 2-[3,5-bis(bromomethyl)phenyl]acetate
CID 89250496
methyl 2-(2-bromo-6-methoxy-4-pyridinyl)acetate
CID 133098117
methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997161
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
(3-bromo-5-ethylphenoxy)-tert-butyl-dimethylsilane
CID 159025466
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate
CID 59524397
methyl 2-[3-hydroxy-5-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]acetate
CID 86613480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate?
The IUPAC name of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate (CID 11258393) is methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate is COC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate?
The InChIKey is FJVZETLIUDUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-12-16(14-19(22)23-7)13-18(15-17)25-27(10,11)21(4,5)6/h12-13,15H,14H2,1-11H3.
What are the key properties of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate?
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate has a molecular weight of 410.70 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate is sourced from PubChem (CID 11258393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).