2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde

C20H36O3Si2 — CID 131734421

IUPAC2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
SMILESCc1c(O[Si](C)(C)C(C)(C)C)ccc(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-15-17(22-24(8,9)19(2,3)4)13-12-16(14-21)18(15)23-25(10,11)20(5,6)7/h12-14H,1-11H3
InChIKeyJRRJZGSZERSNOR-UHFFFAOYSA-N
MW380.68 g/mol
LogP6.58
Rot. Bonds5

About 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde

2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde (PubChem CID 131734421) has the molecular formula C20H36O3Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
PubChem CID131734421
Molecular FormulaC20H36O3Si2
Molecular Weight380.68 g/mol
Exact Mass380.22
IUPAC Name2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
SMILESCc1c(O[Si](C)(C)C(C)(C)C)ccc(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-15-17(22-24(8,9)19(2,3)4)13-12-16(14-21)18(15)23-25(10,11)20(5,6)7/h12-14H,1-11H3
InChIKeyJRRJZGSZERSNOR-UHFFFAOYSA-N
XLogP6.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde?
The IUPAC name of 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde (CID 131734421) is 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde?
The canonical SMILES for 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde is Cc1c(O[Si](C)(C)C(C)(C)C)ccc(C=O)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde?
The InChIKey is JRRJZGSZERSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si2/c1-15-17(22-24(8,9)19(2,3)4)13-12-16(14-21)18(15)23-25(10,11)20(5,6)7/h12-14H,1-11H3.
What are the key properties of 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde?
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde has a molecular weight of 380.68 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde is sourced from PubChem (CID 131734421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).