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

C14H22O3Si — CID 11644690

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13-11(10-15)8-7-9-12(13)16-4/h7-10H,1-6H3
InChIKeyCBGNWUINIDQCCM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.89
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde (PubChem CID 11644690) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
PubChem CID11644690
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13-11(10-15)8-7-9-12(13)16-4/h7-10H,1-6H3
InChIKeyCBGNWUINIDQCCM-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.89
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'}

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-3-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 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde (CID 11644690) is 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde is COc1cccc(C=O)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The InChIKey is CBGNWUINIDQCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-13-11(10-15)8-7-9-12(13)16-4/h7-10H,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde is sourced from PubChem (CID 11644690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).