tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane

C16H30O4Si — CID 101133966

IUPACtert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane
SMILESC=C1CO[C@]2(COC(C)(C)O2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-12-10-17-16(11-18-15(5,6)20-16)9-13(12)19-21(7,8)14(2,3)4/h13H,1,9-11H2,2-8H3/t13-,16+/m0/s1
InChIKeyAKKHFHBTVBKADL-XJKSGUPXSA-N
MW314.50 g/mol
LogP3.83
Rot. Bonds2

About tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane

tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane (PubChem CID 101133966) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane
PubChem CID101133966
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nametert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane
SMILESC=C1CO[C@]2(COC(C)(C)O2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O4Si/c1-12-10-17-16(11-18-15(5,6)20-16)9-13(12)19-21(7,8)14(2,3)4/h13H,1,9-11H2,2-8H3/t13-,16+/m0/s1
InChIKeyAKKHFHBTVBKADL-XJKSGUPXSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane (CID 101133966) is tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane is C=C1CO[C@]2(COC(C)(C)O2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane?
The InChIKey is AKKHFHBTVBKADL-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-12-10-17-16(11-18-15(5,6)20-16)9-13(12)19-21(7,8)14(2,3)4/h13H,1,9-11H2,2-8H3/t13-,16+/m0/s1.
What are the key properties of tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane?
tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane has a molecular weight of 314.50 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101133966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).