tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane

C14H26O3Si — CID 134897583

IUPACtert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane
SMILESC#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m0/s1
InChIKeyUTZPSZIBUKIGRJ-QWHCGFSZSA-N
MW270.44 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane (PubChem CID 134897583) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane
PubChem CID134897583
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nametert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane
SMILESC#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m0/s1
InChIKeyUTZPSZIBUKIGRJ-QWHCGFSZSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane (CID 134897583) is tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane is C#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane?
The InChIKey is UTZPSZIBUKIGRJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane has a molecular weight of 270.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane is sourced from PubChem (CID 134897583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).