tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane

C15H28O3Si — CID 150504388

IUPACtert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
SMILESC#CCOC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCO1
InChIInChI=1S/C15H28O3Si/c1-7-9-16-12-14-11-13(8-10-17-14)18-19(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3/t13-,14+/m0/s1
InChIKeyHYMJXDZIASZALS-UONOGXRCSA-N
MW284.47 g/mol
LogP3.21
Rot. Bonds5

About tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane

tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane (PubChem CID 150504388) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
PubChem CID150504388
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
SMILESC#CCOC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCO1
InChIInChI=1S/C15H28O3Si/c1-7-9-16-12-14-11-13(8-10-17-14)18-19(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3/t13-,14+/m0/s1
InChIKeyHYMJXDZIASZALS-UONOGXRCSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane (CID 150504388) is tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane is C#CCOC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CCO1.
What is the InChIKey of tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane?
The InChIKey is HYMJXDZIASZALS-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-9-16-12-14-11-13(8-10-17-14)18-19(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane?
tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane has a molecular weight of 284.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 150504388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).