tert-butyl(dimethyl)silane;prop-2-yn-1-ol

C9H20OSi — CID 174909337

IUPACtert-butyl(dimethyl)silane;prop-2-yn-1-ol
SMILESC#CCO.C[SiH](C)C(C)(C)C
InChIInChI=1S/C6H16Si.C3H4O/c1-6(2,3)7(4)5;1-2-3-4/h7H,1-5H3;1,4H,3H2
InChIKeyLIHHDCFEQPNNCT-UHFFFAOYSA-N
MW172.34 g/mol
LogP1.89
Rot. Bonds

About tert-butyl(dimethyl)silane;prop-2-yn-1-ol

tert-butyl(dimethyl)silane;prop-2-yn-1-ol (PubChem CID 174909337) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is tert-butyl(dimethyl)silane;prop-2-yn-1-ol.

Molecular Properties

Compound Nametert-butyl(dimethyl)silane;prop-2-yn-1-ol
PubChem CID174909337
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Nametert-butyl(dimethyl)silane;prop-2-yn-1-ol
SMILESC#CCO.C[SiH](C)C(C)(C)C
InChIInChI=1S/C6H16Si.C3H4O/c1-6(2,3)7(4)5;1-2-3-4/h7H,1-5H3;1,4H,3H2
InChIKeyLIHHDCFEQPNNCT-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 51.89
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 tert-butyl(dimethyl)silane;prop-2-yn-1-ol?
The IUPAC name of tert-butyl(dimethyl)silane;prop-2-yn-1-ol (CID 174909337) is tert-butyl(dimethyl)silane;prop-2-yn-1-ol.
What is the SMILES notation for tert-butyl(dimethyl)silane;prop-2-yn-1-ol?
The canonical SMILES for tert-butyl(dimethyl)silane;prop-2-yn-1-ol is C#CCO.C[SiH](C)C(C)(C)C.
What is the InChIKey of tert-butyl(dimethyl)silane;prop-2-yn-1-ol?
The InChIKey is LIHHDCFEQPNNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.C3H4O/c1-6(2,3)7(4)5;1-2-3-4/h7H,1-5H3;1,4H,3H2.
What are the key properties of tert-butyl(dimethyl)silane;prop-2-yn-1-ol?
tert-butyl(dimethyl)silane;prop-2-yn-1-ol has a molecular weight of 172.34 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dimethyl)silane;prop-2-yn-1-ol is sourced from PubChem (CID 174909337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).