5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde

C14H20O4Si — CID 167725112

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1C=O)OCO2
InChIInChI=1S/C14H20O4Si/c1-14(2,3)19(4,5)18-11-6-7-12-13(10(11)8-15)17-9-16-12/h6-8H,9H2,1-5H3
InChIKeyKGQWVLZDHDHVSO-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.61
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde (PubChem CID 167725112) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
PubChem CID167725112
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1C=O)OCO2
InChIInChI=1S/C14H20O4Si/c1-14(2,3)19(4,5)18-11-6-7-12-13(10(11)8-15)17-9-16-12/h6-8H,9H2,1-5H3
InChIKeyKGQWVLZDHDHVSO-UHFFFAOYSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1,3-benzodioxole-4-carbaldehyde
CID 11031640
2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
CID 167734827
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
CID 167717212
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-1,3-benzodioxole-5-carboxamide
CID 11013581
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900502
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
CID 87197183
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde (CID 167725112) is 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1C=O)OCO2.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde?
The InChIKey is KGQWVLZDHDHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4Si/c1-14(2,3)19(4,5)18-11-6-7-12-13(10(11)8-15)17-9-16-12/h6-8H,9H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde has a molecular weight of 280.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde is sourced from PubChem (CID 167725112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).