3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal

C14H26O2Si — CID 11128880

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C14H26O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3
InChIKeySAIYASCAOKXLML-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.63
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal (PubChem CID 11128880) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal
PubChem CID11128880
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C14H26O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3
InChIKeySAIYASCAOKXLML-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.63
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal (CID 11128880) is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal is C#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal?
The InChIKey is SAIYASCAOKXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal?
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal has a molecular weight of 254.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-ynal is sourced from PubChem (CID 11128880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).