3-tert-butyldimethylsiloxy-propionaldehyde

C9H19O2Si — CID 87127596

IUPAC—
SMILESC[Si](C)OC(C=O)CC(C)(C)C
InChIInChI=1S/C9H19O2Si/c1-9(2,3)6-8(7-10)11-12(4)5/h7-8H,6H2,1-5H3
InChIKeyNQGRYCNDAAIHMI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.26
Rot. Bonds4

About 3-tert-butyldimethylsiloxy-propionaldehyde

3-tert-butyldimethylsiloxy-propionaldehyde (PubChem CID 87127596) has the molecular formula C9H19O2Si and a molecular weight of 187.33 g/mol.

Molecular Properties

Compound Name3-tert-butyldimethylsiloxy-propionaldehyde
PubChem CID87127596
Molecular FormulaC9H19O2Si
Molecular Weight187.33 g/mol
Exact Mass187.12
IUPAC Name—
SMILESC[Si](C)OC(C=O)CC(C)(C)C
InChIInChI=1S/C9H19O2Si/c1-9(2,3)6-8(7-10)11-12(4)5/h7-8H,6H2,1-5H3
InChIKeyNQGRYCNDAAIHMI-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.26
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-tert-butyldimethylsiloxy-propionaldehyde?
The IUPAC name of 3-tert-butyldimethylsiloxy-propionaldehyde (CID 87127596) is not available.
What is the SMILES notation for 3-tert-butyldimethylsiloxy-propionaldehyde?
The canonical SMILES for 3-tert-butyldimethylsiloxy-propionaldehyde is C[Si](C)OC(C=O)CC(C)(C)C.
What is the InChIKey of 3-tert-butyldimethylsiloxy-propionaldehyde?
The InChIKey is NQGRYCNDAAIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2Si/c1-9(2,3)6-8(7-10)11-12(4)5/h7-8H,6H2,1-5H3.
What are the key properties of 3-tert-butyldimethylsiloxy-propionaldehyde?
3-tert-butyldimethylsiloxy-propionaldehyde has a molecular weight of 187.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyldimethylsiloxy-propionaldehyde is sourced from PubChem (CID 87127596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).