1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol

C9H18OSi — CID 15500749

IUPAC1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
SMILESC#CC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-7-8(10)11(5,6)9(2,3)4/h1,8,10H,2-6H3
InChIKeyAJYXCJDHHPQYBD-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.03
Rot. Bonds1

About 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol

1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol (PubChem CID 15500749) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
PubChem CID15500749
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
SMILESC#CC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-7-8(10)11(5,6)9(2,3)4/h1,8,10H,2-6H3
InChIKeyAJYXCJDHHPQYBD-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.03
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 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol (CID 15500749) is 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is C#CC(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The InChIKey is AJYXCJDHHPQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-7-8(10)11(5,6)9(2,3)4/h1,8,10H,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol has a molecular weight of 170.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is sourced from PubChem (CID 15500749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).