2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal

C11H24O2Si — CID 155858286

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
SMILESCCC(C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8-11(5,9-12)13-14(6,7)10(2,3)4/h9H,8H2,1-7H3
InChIKeyPYSJINRQABBZSS-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal

2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal (PubChem CID 155858286) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
PubChem CID155858286
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
SMILESCCC(C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8-11(5,9-12)13-14(6,7)10(2,3)4/h9H,8H2,1-7H3
InChIKeyPYSJINRQABBZSS-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
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 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal (CID 155858286) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal is CCC(C)(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
The InChIKey is PYSJINRQABBZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8-11(5,9-12)13-14(6,7)10(2,3)4/h9H,8H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal?
2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal has a molecular weight of 216.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal is sourced from PubChem (CID 155858286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).