2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol

C14H26O2Si — CID 123619096

IUPAC2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC1(C)CC(O)(C#C[Si](C)(C)C)CC(C)(C)O1
InChIInChI=1S/C14H26O2Si/c1-12(2)10-14(15,8-9-17(5,6)7)11-13(3,4)16-12/h15H,10-11H2,1-7H3
InChIKeyJKENALMUEBYHPN-UHFFFAOYSA-N
MW254.45 g/mol
LogP2.97
Rot. Bonds

About 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol

2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol (PubChem CID 123619096) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
PubChem CID123619096
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC1(C)CC(O)(C#C[Si](C)(C)C)CC(C)(C)O1
InChIInChI=1S/C14H26O2Si/c1-12(2)10-14(15,8-9-17(5,6)7)11-13(3,4)16-12/h15H,10-11H2,1-7H3
InChIKeyJKENALMUEBYHPN-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol (CID 123619096) is 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol is CC1(C)CC(O)(C#C[Si](C)(C)C)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol?
The InChIKey is JKENALMUEBYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-12(2)10-14(15,8-9-17(5,6)7)11-13(3,4)16-12/h15H,10-11H2,1-7H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol?
2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol has a molecular weight of 254.45 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol is sourced from PubChem (CID 123619096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).