3,3-bis(triethylsilyl)but-1-yn-1-ol

C16H34OSi2 — CID 23374723

IUPAC3,3-bis(triethylsilyl)but-1-yn-1-ol
SMILESCC[Si](CC)(CC)C(C)(C#CO)[Si](CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(7,14-15-17)19(11-4,12-5)13-6/h17H,8-13H2,1-7H3
InChIKeyPLCPMBNNBGEAGY-UHFFFAOYSA-N
MW298.62 g/mol
LogP5.64
Rot. Bonds8

About 3,3-bis(triethylsilyl)but-1-yn-1-ol

3,3-bis(triethylsilyl)but-1-yn-1-ol (PubChem CID 23374723) has the molecular formula C16H34OSi2 and a molecular weight of 298.62 g/mol. Its IUPAC name is 3,3-bis(triethylsilyl)but-1-yn-1-ol.

Molecular Properties

Compound Name3,3-bis(triethylsilyl)but-1-yn-1-ol
PubChem CID23374723
Molecular FormulaC16H34OSi2
Molecular Weight298.62 g/mol
Exact Mass298.21
IUPAC Name3,3-bis(triethylsilyl)but-1-yn-1-ol
SMILESCC[Si](CC)(CC)C(C)(C#CO)[Si](CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(7,14-15-17)19(11-4,12-5)13-6/h17H,8-13H2,1-7H3
InChIKeyPLCPMBNNBGEAGY-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.62
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3-bis(triethylsilyl)but-1-yn-1-ol?
The IUPAC name of 3,3-bis(triethylsilyl)but-1-yn-1-ol (CID 23374723) is 3,3-bis(triethylsilyl)but-1-yn-1-ol.
What is the SMILES notation for 3,3-bis(triethylsilyl)but-1-yn-1-ol?
The canonical SMILES for 3,3-bis(triethylsilyl)but-1-yn-1-ol is CC[Si](CC)(CC)C(C)(C#CO)[Si](CC)(CC)CC.
What is the InChIKey of 3,3-bis(triethylsilyl)but-1-yn-1-ol?
The InChIKey is PLCPMBNNBGEAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(7,14-15-17)19(11-4,12-5)13-6/h17H,8-13H2,1-7H3.
What are the key properties of 3,3-bis(triethylsilyl)but-1-yn-1-ol?
3,3-bis(triethylsilyl)but-1-yn-1-ol has a molecular weight of 298.62 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(triethylsilyl)but-1-yn-1-ol is sourced from PubChem (CID 23374723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).