tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane

C11H22Si — CID 124680544

IUPACtert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane
SMILESC#CC[C@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22Si/c1-8-9-10(2)12(6,7)11(3,4)5/h1,10H,9H2,2-7H3/t10-/m0/s1
InChIKeyJEQZHZNFPHANNQ-JTQLQIEISA-N
MW182.38 g/mol
LogP3.91
Rot. Bonds2

About tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane

tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane (PubChem CID 124680544) has the molecular formula C11H22Si and a molecular weight of 182.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane
PubChem CID124680544
Molecular FormulaC11H22Si
Molecular Weight182.38 g/mol
Exact Mass182.15
IUPAC Nametert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane
SMILESC#CC[C@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22Si/c1-8-9-10(2)12(6,7)11(3,4)5/h1,10H,9H2,2-7H3/t10-/m0/s1
InChIKeyJEQZHZNFPHANNQ-JTQLQIEISA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(2S)-pent-4-yn-2-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane (CID 124680544) is tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane is C#CC[C@H](C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane?
The InChIKey is JEQZHZNFPHANNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22Si/c1-8-9-10(2)12(6,7)11(3,4)5/h1,10H,9H2,2-7H3/t10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane?
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane has a molecular weight of 182.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane is sourced from PubChem (CID 124680544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).