4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal

C11H24O2Si — CID 19737461

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3
InChIKeyXNTGGGQCYBRHIO-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal

4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (PubChem CID 19737461) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
PubChem CID19737461
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
SMILESCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3
InChIKeyXNTGGGQCYBRHIO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal (CID 19737461) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is CC(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
The InChIKey is XNTGGGQCYBRHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h8,10H,7,9H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal?
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal has a molecular weight of 216.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal is sourced from PubChem (CID 19737461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).