3,5-dimethyl-4-trimethylsilyloxybenzaldehyde

C12H18O2Si — CID 102090063

IUPAC3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
SMILESCc1cc(C=O)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-8H,1-5H3
InChIKeyARLHXZXUUYZZNQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.33
Rot. Bonds3

About 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde

3,5-dimethyl-4-trimethylsilyloxybenzaldehyde (PubChem CID 102090063) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
PubChem CID102090063
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
SMILESCc1cc(C=O)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-8H,1-5H3
InChIKeyARLHXZXUUYZZNQ-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde?
The IUPAC name of 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde (CID 102090063) is 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde is Cc1cc(C=O)cc(C)c1O[Si](C)(C)C.
What is the InChIKey of 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde?
The InChIKey is ARLHXZXUUYZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-8H,1-5H3.
What are the key properties of 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde?
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde has a molecular weight of 222.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 102090063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).