4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid

C15H24O3Si — CID 102361549

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C15H24O3Si/c1-11-9-12(7-8-13(11)14(16)17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3,(H,16,17)
InChIKeyQJAUSHHUZPHNSS-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.22
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid (PubChem CID 102361549) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid
PubChem CID102361549
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C15H24O3Si/c1-11-9-12(7-8-13(11)14(16)17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3,(H,16,17)
InChIKeyQJAUSHHUZPHNSS-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373
4-Isopropylbenzoic Acid
CID 10820
4-Ethylbenzoic Acid
CID 12086
3,4-Dimethylbenzoic acid
CID 12073
4-(Hydroxymethyl)benzoic acid
CID 76360
2,4,6-Trimethylbenzoic acid
CID 10194
4-Isobutylbenzoic acid
CID 38111
p-Octylbenzoic acid
CID 19147
4-Pentylbenzoic acid
CID 33479
AC55649
CID 1714884
4-Methylphthalic acid
CID 20310

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid (CID 102361549) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid is Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid?
The InChIKey is QJAUSHHUZPHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-11-9-12(7-8-13(11)14(16)17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3,(H,16,17).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid has a molecular weight of 280.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylbenzoic acid is sourced from PubChem (CID 102361549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).