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

C18H34O5Si — CID 11068322

IUPACtert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C18H34O5Si/c1-10-14-16(23-18(5,6)22-14)15(20-13-19-7)11-12-21-24(8,9)17(2,3)4/h1,14-16H,11-13H2,2-9H3/t14-,15+,16-/m1/s1
InChIKeyBHFPSPXCWRZTBS-OWCLPIDISA-N
MW358.55 g/mol
LogP3.54
Rot. Bonds8

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

tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane (PubChem CID 11068322) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane
PubChem CID11068322
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nametert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C18H34O5Si/c1-10-14-16(23-18(5,6)22-14)15(20-13-19-7)11-12-21-24(8,9)17(2,3)4/h1,14-16H,11-13H2,2-9H3/t14-,15+,16-/m1/s1
InChIKeyBHFPSPXCWRZTBS-OWCLPIDISA-N
XLogP3.54
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane (CID 11068322) is tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane is C#C[C@H]1OC(C)(C)O[C@H]1[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane?
The InChIKey is BHFPSPXCWRZTBS-OWCLPIDISA-N. The full InChI is InChI=1S/C18H34O5Si/c1-10-14-16(23-18(5,6)22-14)15(20-13-19-7)11-12-21-24(8,9)17(2,3)4/h1,14-16H,11-13H2,2-9H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane?
tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane has a molecular weight of 358.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propoxy]-dimethylsilane is sourced from PubChem (CID 11068322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).