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

C12H22O2Si — CID 91827330

IUPACtert-butyl-dimethyl-[3-[[(2R)-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-/m0/s1
InChIKeyOKZVDZLMHXNEBT-NSHDSACASA-N
MW226.39 g/mol
LogP2.45
Rot. Bonds3

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

tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane (PubChem CID 91827330) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane
PubChem CID91827330
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-[3-[[(2R)-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-/m0/s1
InChIKeyOKZVDZLMHXNEBT-NSHDSACASA-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'}

Analyze tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane with MolForge

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Related Compounds

4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine
CID 68630861
2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]ethanol
CID 170899780
tert-butyl-dimethyl-[3-[(2R)-3-[4-[[(2R)-oxiran-2-yl]methoxymethyl]triazol-1-yl]-2-phenylmethoxypropoxy]prop-1-ynyl]silane
CID 91827328
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
tert-butyl-dimethyl-(4-prop-2-ynoxybut-1-ynyl)silane
CID 170899523
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
chloro-dimethyl-(oxiran-2-ylmethoxymethyl)silane
CID 54169335
methoxy-dimethyl-[2-methyl-3-(oxiran-2-ylmethoxy)propyl]silane
CID 87766586
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane (CID 91827330) is tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[[(2R)-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-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
The InChIKey is OKZVDZLMHXNEBT-NSHDSACASA-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-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane?
tert-butyl-dimethyl-[3-[[(2R)-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-[[(2R)-oxiran-2-yl]methoxy]prop-1-ynyl]silane is sourced from PubChem (CID 91827330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).