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

C9H18OSi — CID 2757283

IUPAC3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CCO
InChIInChI=1S/C9H18OSi/c1-9(2,3)11(4,5)8-6-7-10/h10H,7H2,1-5H3
InChIKeyBSFBEXRZAZEBTM-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.03
Rot. Bonds

About 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol

3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol (PubChem CID 2757283) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
PubChem CID2757283
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CCO
InChIInChI=1S/C9H18OSi/c1-9(2,3)11(4,5)8-6-7-10/h10H,7H2,1-5H3
InChIKeyBSFBEXRZAZEBTM-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol (CID 2757283) is 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is CC(C)(C)[Si](C)(C)C#CCO.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
The InChIKey is BSFBEXRZAZEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-9(2,3)11(4,5)8-6-7-10/h10H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol?
3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol has a molecular weight of 170.33 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is sourced from PubChem (CID 2757283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).