tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane

C16H28O4Si — CID 11580450

IUPACtert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2O[C@H]1C=CC21OCCO1
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(4,5)19-11-12-10-14-16(17-8-9-18-16)7-6-13(12)20-14/h6-7,12-14H,8-11H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyOVYODFJYKWFUQW-RDBSUJKOSA-N
MW312.48 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane

tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane (PubChem CID 11580450) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane
PubChem CID11580450
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Nametert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2O[C@H]1C=CC21OCCO1
InChIInChI=1S/C16H28O4Si/c1-15(2,3)21(4,5)19-11-12-10-14-16(17-8-9-18-16)7-6-13(12)20-14/h6-7,12-14H,8-11H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyOVYODFJYKWFUQW-RDBSUJKOSA-N
XLogP3.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.09
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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Related Compounds

((1s,4s,5r)-5-((s)-1,4-Dioxaspiro[4.5]decan-2-yl)cyclohex-2-ene-1,4-diyl)bis(oxy)bis(t-butyl-dimethylsilane)
CID 129713018
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
tert-butyl-[[(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10793136
[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
CID 11002735
tert-butyl-[2-[(4S,5S)-5-[(Z,4R)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750137
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406
tert-butyl-[2-[(4S,5S)-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 70845213
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 159825375
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
tert-butyl-dimethyl-[[(1S,4R,10S,12R,13S,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-en-12-yl]methoxy]silane
CID 10712080
[(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl] acetate
CID 10784509
tert-butyl-[[(1R,2S,6R,7S)-7-methoxy-1,4,4-trimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy]-dimethylsilane
CID 10861214

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane (CID 11580450) is tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2O[C@H]1C=CC21OCCO1.
What is the InChIKey of tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane?
The InChIKey is OVYODFJYKWFUQW-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2,3)21(4,5)19-11-12-10-14-16(17-8-9-18-16)7-6-13(12)20-14/h6-7,12-14H,8-11H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane has a molecular weight of 312.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane is sourced from PubChem (CID 11580450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).