5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde

C17H28O5Si — CID 46211282

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(OC)c(CO[Si](C)(C)C(C)(C)C)cc1C=O
InChIInChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-11-14-8-13(10-18)16(21-12-19-4)9-15(14)20-5/h8-10H,11-12H2,1-7H3
InChIKeyDHNUZPYBCNOLST-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.01
Rot. Bonds8

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde (PubChem CID 46211282) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde
PubChem CID46211282
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(OC)c(CO[Si](C)(C)C(C)(C)C)cc1C=O
InChIInChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-11-14-8-13(10-18)16(21-12-19-4)9-15(14)20-5/h8-10H,11-12H2,1-7H3
InChIKeyDHNUZPYBCNOLST-UHFFFAOYSA-N
XLogP4.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde (CID 46211282) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde is COCOc1cc(OC)c(CO[Si](C)(C)C(C)(C)C)cc1C=O.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde?
The InChIKey is DHNUZPYBCNOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-11-14-8-13(10-18)16(21-12-19-4)9-15(14)20-5/h8-10H,11-12H2,1-7H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde has a molecular weight of 340.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 46211282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).