methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate

C16H25ClO3Si — CID 139036162

IUPACmethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
SMILESCOC(=O)c1cc(CCO[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClO3Si/c1-16(2,3)21(5,6)20-10-9-12-7-8-14(17)13(11-12)15(18)19-4/h7-8,11H,9-10H2,1-6H3
InChIKeyDCRDWSIUNFHTHC-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.69
Rot. Bonds5

About methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate

methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate (PubChem CID 139036162) has the molecular formula C16H25ClO3Si and a molecular weight of 328.91 g/mol. Its IUPAC name is methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
PubChem CID139036162
Molecular FormulaC16H25ClO3Si
Molecular Weight328.91 g/mol
Exact Mass328.13
IUPAC Namemethyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
SMILESCOC(=O)c1cc(CCO[Si](C)(C)C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClO3Si/c1-16(2,3)21(5,6)20-10-9-12-7-8-14(17)13(11-12)15(18)19-4/h7-8,11H,9-10H2,1-6H3
InChIKeyDCRDWSIUNFHTHC-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorophenyl]sulfanylacetic acid
CID 164905280
methyl 5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1,3-oxazole-4-carboxylate
CID 66928296
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethoxyethyl)benzamide
CID 69169813
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
CID 101254875
methyl 5-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2-methylbutyl]-2-methylfuran-3-carboxylate
CID 135022680
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate?
The IUPAC name of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate (CID 139036162) is methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate is COC(=O)c1cc(CCO[Si](C)(C)C(C)(C)C)ccc1Cl.
What is the InChIKey of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate?
The InChIKey is DCRDWSIUNFHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO3Si/c1-16(2,3)21(5,6)20-10-9-12-7-8-14(17)13(11-12)15(18)19-4/h7-8,11H,9-10H2,1-6H3.
What are the key properties of methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate?
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate has a molecular weight of 328.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate is sourced from PubChem (CID 139036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).