tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C14H26O3Si — CID 11587122

IUPACtert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-9-11-12(17-14(5,6)16-11)10-15-18(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3/t11-,12+/m1/s1
InChIKeyLKYZEUZZNZHGCS-NEPJUHHUSA-N
MW270.44 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11587122) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11587122
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nametert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-9-11-12(17-14(5,6)16-11)10-15-18(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3/t11-,12+/m1/s1
InChIKeyLKYZEUZZNZHGCS-NEPJUHHUSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11587122) is tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C#C[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is LKYZEUZZNZHGCS-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9-11-12(17-14(5,6)16-11)10-15-18(7,8)13(2,3)4/h1,11-12H,10H2,2-8H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11587122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).