4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal

C12H26O2Si — CID 85357217

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
SMILESCC(C=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3
InChIKeyMFUYWZZGANVXAJ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.48
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal

4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal (PubChem CID 85357217) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
PubChem CID85357217
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
SMILESCC(C=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3
InChIKeyMFUYWZZGANVXAJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.48
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-2,3-dimethylbutanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal (CID 85357217) is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal is CC(C=O)C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
The InChIKey is MFUYWZZGANVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(8-13)11(2)9-14-15(6,7)12(3,4)5/h8,10-11H,9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal?
4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal has a molecular weight of 230.42 g/mol, XLogP of 3.48, 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-2,3-dimethylbutanal is sourced from PubChem (CID 85357217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).