3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride

C14H21ClO3Si — CID 10979521

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21ClO3Si/c1-14(2,3)19(5,6)18-12-9-10(13(15)16)7-8-11(12)17-4/h7-9H,1-6H3
InChIKeyHMBOEFMRNXFQBH-UHFFFAOYSA-N
MW300.86 g/mol
LogP4.46
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride

3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride (PubChem CID 10979521) has the molecular formula C14H21ClO3Si and a molecular weight of 300.86 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
PubChem CID10979521
Molecular FormulaC14H21ClO3Si
Molecular Weight300.86 g/mol
Exact Mass300.09
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21ClO3Si/c1-14(2,3)19(5,6)18-12-9-10(13(15)16)7-8-11(12)17-4/h7-9H,1-6H3
InChIKeyHMBOEFMRNXFQBH-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(4-chlorophenyl)prop-2-yn-1-one
CID 169002331
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride (CID 10979521) is 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride is COc1ccc(C(=O)Cl)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride?
The InChIKey is HMBOEFMRNXFQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3Si/c1-14(2,3)19(5,6)18-12-9-10(13(15)16)7-8-11(12)17-4/h7-9H,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride?
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride has a molecular weight of 300.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride is sourced from PubChem (CID 10979521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).