tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane

C17H30O4Si — CID 100933489

IUPACtert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@]12C=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]12
InChIInChI=1S/C17H30O4Si/c1-11-17(21-16(5,6)20-11)9-12(13-14(17)19-13)10-18-22(7,8)15(2,3)4/h9,11,13-14H,10H2,1-8H3/t11-,13+,14+,17+/m0/s1
InChIKeyUTVYPFDFFJSPFY-ZCTGUTNYSA-N
MW326.51 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane

tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane (PubChem CID 100933489) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane
PubChem CID100933489
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@]12C=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]12
InChIInChI=1S/C17H30O4Si/c1-11-17(21-16(5,6)20-11)9-12(13-14(17)19-13)10-18-22(7,8)15(2,3)4/h9,11,13-14H,10H2,1-8H3/t11-,13+,14+,17+/m0/s1
InChIKeyUTVYPFDFFJSPFY-ZCTGUTNYSA-N
XLogP3.63
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.63
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane (CID 100933489) is tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane is C[C@@H]1OC(C)(C)O[C@]12C=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane?
The InChIKey is UTVYPFDFFJSPFY-ZCTGUTNYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-11-17(21-16(5,6)20-11)9-12(13-14(17)19-13)10-18-22(7,8)15(2,3)4/h9,11,13-14H,10H2,1-8H3/t11-,13+,14+,17+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane has a molecular weight of 326.51 g/mol, XLogP of 3.63, 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'R,4R,5S,5'R)-2,2,5-trimethylspiro[1,3-dioxolane-4,4'-6-oxabicyclo[3.1.0]hex-2-ene]-2'-yl]methoxy]silane is sourced from PubChem (CID 100933489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).