3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde

C14H22O4Si — CID 11701906

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(5,6)18-13-11(17-4)8-7-10(9-15)12(13)16/h7-9,16H,1-6H3
InChIKeyJXVDIOZHAUPEBV-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.60
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde (PubChem CID 11701906) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
PubChem CID11701906
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(5,6)18-13-11(17-4)8-7-10(9-15)12(13)16/h7-9,16H,1-6H3
InChIKeyJXVDIOZHAUPEBV-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde (CID 11701906) is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde is COc1ccc(C=O)c(O)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde?
The InChIKey is JXVDIOZHAUPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-14(2,3)19(5,6)18-13-11(17-4)8-7-10(9-15)12(13)16/h7-9,16H,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde has a molecular weight of 282.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 11701906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).