tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane

C14H26O3Si — CID 11425711

IUPACtert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC2(CC1)OCCO2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(9-7-12)15-10-11-16-14/h6,8,12H,7,9-11H2,1-5H3/t12-/m1/s1
InChIKeyYWWXIYRSFZHTKU-GFCCVEGCSA-N
MW270.44 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane

tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane (PubChem CID 11425711) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
PubChem CID11425711
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nametert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC2(CC1)OCCO2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(9-7-12)15-10-11-16-14/h6,8,12H,7,9-11H2,1-5H3/t12-/m1/s1
InChIKeyYWWXIYRSFZHTKU-GFCCVEGCSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.47
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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Related Compounds

[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tert-butyl-dimethylsilane
CID 11161517
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
1,4-Dioxaspiro[4.5]dec-6-en-6-yl(trimethyl)silane
CID 85728290
tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-methoxy-dimethylsilane
CID 10776580
[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[(E)-1-cyclohex-2-en-1-yloxyprop-1-enoxy]-dimethylsilane
CID 14907853
tert-butyl-[(Z)-1-cyclohex-2-en-1-yloxyprop-1-enoxy]-dimethylsilane
CID 14907854
1,4-Dioxaspiro[4.4]non-8-en-9-ylmethyl(trimethyl)silane
CID 15134696
[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361
Tert-butyl-(1,4-dioxaspiro[4.5]dec-7-en-8-yloxy)-dimethylsilane
CID 73292067
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane (CID 11425711) is tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC2(CC1)OCCO2.
What is the InChIKey of tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane?
The InChIKey is YWWXIYRSFZHTKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(9-7-12)15-10-11-16-14/h6,8,12H,7,9-11H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11425711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).