2-[tert-butyl(dimethyl)silyl]propanal

C9H20OSi — CID 11789684

IUPAC2-[tert-butyl(dimethyl)silyl]propanal
SMILESCC(C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(7-10)11(5,6)9(2,3)4/h7-8H,1-6H3
InChIKeyCOWIZVDZXLTNQB-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]propanal

2-[tert-butyl(dimethyl)silyl]propanal (PubChem CID 11789684) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]propanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]propanal
PubChem CID11789684
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]propanal
SMILESCC(C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(7-10)11(5,6)9(2,3)4/h7-8H,1-6H3
InChIKeyCOWIZVDZXLTNQB-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[tert-butyl(dimethyl)silyl]propanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]propanal (CID 11789684) is 2-[tert-butyl(dimethyl)silyl]propanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]propanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]propanal is CC(C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]propanal?
The InChIKey is COWIZVDZXLTNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8(7-10)11(5,6)9(2,3)4/h7-8H,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]propanal?
2-[tert-butyl(dimethyl)silyl]propanal has a molecular weight of 172.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]propanal is sourced from PubChem (CID 11789684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).