tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane

C18H32O3Si — CID 10568023

IUPACtert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H32O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h1,15-16H,8-14H2,2-6H3/t15-,16+/m0/s1
InChIKeyRCROOXOHZFWUIQ-JKSUJKDBSA-N
MW324.54 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane (PubChem CID 10568023) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane
PubChem CID10568023
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H32O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h1,15-16H,8-14H2,2-6H3/t15-,16+/m0/s1
InChIKeyRCROOXOHZFWUIQ-JKSUJKDBSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.48
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-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane (CID 10568023) is tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane is C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane?
The InChIKey is RCROOXOHZFWUIQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h1,15-16H,8-14H2,2-6H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 10568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).