tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane

C18H34O3Si — CID 135025224

IUPACtert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane
SMILESC#CC[C@@H]1OC(C)(C)O[C@@H]1C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-11-12-14-15(21-18(7,8)20-14)17(5,6)13-19-22(9,10)16(2,3)4/h1,14-15H,12-13H2,2-10H3/t14-,15-/m0/s1
InChIKeySSOYJZHEPYUDCW-GJZGRUSLSA-N
MW326.55 g/mol
LogP4.58
Rot. Bonds5

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

tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane (PubChem CID 135025224) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane
PubChem CID135025224
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane
SMILESC#CC[C@@H]1OC(C)(C)O[C@@H]1C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-11-12-14-15(21-18(7,8)20-14)17(5,6)13-19-22(9,10)16(2,3)4/h1,14-15H,12-13H2,2-10H3/t14-,15-/m0/s1
InChIKeySSOYJZHEPYUDCW-GJZGRUSLSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.58
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-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane (CID 135025224) is tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane is C#CC[C@@H]1OC(C)(C)O[C@@H]1C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane?
The InChIKey is SSOYJZHEPYUDCW-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-11-12-14-15(21-18(7,8)20-14)17(5,6)13-19-22(9,10)16(2,3)4/h1,14-15H,12-13H2,2-10H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane?
tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane has a molecular weight of 326.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4R,5S)-2,2-dimethyl-5-prop-2-ynyl-1,3-dioxolan-4-yl]-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 135025224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).