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

C10H22OSi2 — CID 87941498

IUPAC3,3-bis(trimethylsilyl)but-1-yn-1-ol
SMILESCC(C#CO)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H22OSi2/c1-10(8-9-11,12(2,3)4)13(5,6)7/h11H,1-7H3
InChIKeyQYIMENAYWYKDKO-UHFFFAOYSA-N
MW214.46 g/mol
LogP3.30
Rot. Bonds2

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

3,3-bis(trimethylsilyl)but-1-yn-1-ol (PubChem CID 87941498) has the molecular formula C10H22OSi2 and a molecular weight of 214.46 g/mol. Its IUPAC name is 3,3-bis(trimethylsilyl)but-1-yn-1-ol.

Molecular Properties

Compound Name3,3-bis(trimethylsilyl)but-1-yn-1-ol
PubChem CID87941498
Molecular FormulaC10H22OSi2
Molecular Weight214.46 g/mol
Exact Mass214.12
IUPAC Name3,3-bis(trimethylsilyl)but-1-yn-1-ol
SMILESCC(C#CO)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H22OSi2/c1-10(8-9-11,12(2,3)4)13(5,6)7/h11H,1-7H3
InChIKeyQYIMENAYWYKDKO-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.46
LogP ≤ 53.30
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(trimethylsilyl)but-1-yn-1-ol?
The IUPAC name of 3,3-bis(trimethylsilyl)but-1-yn-1-ol (CID 87941498) is 3,3-bis(trimethylsilyl)but-1-yn-1-ol.
What is the SMILES notation for 3,3-bis(trimethylsilyl)but-1-yn-1-ol?
The canonical SMILES for 3,3-bis(trimethylsilyl)but-1-yn-1-ol is CC(C#CO)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3,3-bis(trimethylsilyl)but-1-yn-1-ol?
The InChIKey is QYIMENAYWYKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi2/c1-10(8-9-11,12(2,3)4)13(5,6)7/h11H,1-7H3.
What are the key properties of 3,3-bis(trimethylsilyl)but-1-yn-1-ol?
3,3-bis(trimethylsilyl)but-1-yn-1-ol has a molecular weight of 214.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trimethylsilyl)but-1-yn-1-ol is sourced from PubChem (CID 87941498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).