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

C17H32O5Si — CID 166449237

IUPACtert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(OC)OC
InChIInChI=1S/C17H32O5Si/c1-11-12-13(21-17(5,6)20-12)14(15(18-7)19-8)22-23(9,10)16(2,3)4/h1,12-15H,2-10H3/t12-,13+,14+/m1/s1
InChIKeyLKFSNZQFTXORTO-RDBSUJKOSA-N
MW344.52 g/mol
LogP3.15
Rot. Bonds6

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

tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane (PubChem CID 166449237) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
PubChem CID166449237
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nametert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(OC)OC
InChIInChI=1S/C17H32O5Si/c1-11-12-13(21-17(5,6)20-12)14(15(18-7)19-8)22-23(9,10)16(2,3)4/h1,12-15H,2-10H3/t12-,13+,14+/m1/s1
InChIKeyLKFSNZQFTXORTO-RDBSUJKOSA-N
XLogP3.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane
CID 11293134
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-yn-1-ol
CID 11317993
tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 56595070
[(2S,3R,5S)-3,5-bis(methoxymethoxy)hept-6-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 101889699
tert-butyl-[(1S)-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynoxy]-dimethylsilane
CID 134880352
tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane
CID 134885146
tert-butyl-dimethyl-[[(2S,5R)-5-prop-2-ynoxyoxolan-2-yl]methoxy]silane
CID 134897583
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-yn-1-ol
CID 134931236
2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 139249823
TBDMS(-2)[TBDMS(-3)][TBDMS(-5)]b-Ribf1Me
CID 146020058
TBDMS(-2)[TBDMS(-5)]3-deoxy-b-D-eryPenf1Me
CID 146020064
TBDMS(-3)[TBDMS(-5)]2-deoxy-b-D-eryPenf1Me
CID 146020066

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane (CID 166449237) is tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane is C#C[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(OC)OC.
What is the InChIKey of tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
The InChIKey is LKFSNZQFTXORTO-RDBSUJKOSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-11-12-13(21-17(5,6)20-12)14(15(18-7)19-8)22-23(9,10)16(2,3)4/h1,12-15H,2-10H3/t12-,13+,14+/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane has a molecular weight of 344.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane is sourced from PubChem (CID 166449237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).