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

C18H34O3Si — CID 11198185

IUPACtert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H34O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+/m0/s1
InChIKeyQLGMMJIPSQTGEP-JKSUJKDBSA-N
MW326.55 g/mol
LogP5.03
Rot. Bonds5

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

tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane (PubChem CID 11198185) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane
PubChem CID11198185
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H34O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+/m0/s1
InChIKeyQLGMMJIPSQTGEP-JKSUJKDBSA-N
XLogP5.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane (CID 11198185) is tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-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-enoxy]-dimethylsilane?
The InChIKey is QLGMMJIPSQTGEP-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-11-15(21-22(5,6)17(2,3)4)16-14-19-18(20-16)12-9-8-10-13-18/h7,15-16H,1,8-14H2,2-6H3/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-enoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane has a molecular weight of 326.55 g/mol, XLogP of 5.03, 5 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-enoxy]-dimethylsilane is sourced from PubChem (CID 11198185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).