tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane

C12H22O2Si — CID 91827338

IUPACtert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CCOC[C@@H]1CO1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)8-6-7-13-9-11-10-14-11/h11H,7,9-10H2,1-5H3/t11-/m1/s1
InChIKeyOKZVDZLMHXNEBT-LLVKDONJSA-N
MW226.39 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane

tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane (PubChem CID 91827338) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane
PubChem CID91827338
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CCOC[C@@H]1CO1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)8-6-7-13-9-11-10-14-11/h11H,7,9-10H2,1-5H3/t11-/m1/s1
InChIKeyOKZVDZLMHXNEBT-LLVKDONJSA-N
XLogP2.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', '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-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane (CID 91827338) is tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane is CC(C)(C)[Si](C)(C)C#CCOC[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The InChIKey is OKZVDZLMHXNEBT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)8-6-7-13-9-11-10-14-11/h11H,7,9-10H2,1-5H3/t11-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane has a molecular weight of 226.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[[(2S)-oxiran-2-yl]methoxy]prop-1-ynyl]silane is sourced from PubChem (CID 91827338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).