tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane

C12H22O3Si — CID 23328369

IUPACtert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@H]2CO[C@@H]1O2
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-7-6-9-8-13-11(10)14-9/h7,9,11H,6,8H2,1-5H3/t9-,11+/m0/s1
InChIKeyYZKRQAXZEJMXBP-GXSJLCMTSA-N
MW242.39 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane (PubChem CID 23328369) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane
PubChem CID23328369
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Nametert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@H]2CO[C@@H]1O2
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-7-6-9-8-13-11(10)14-9/h7,9,11H,6,8H2,1-5H3/t9-,11+/m0/s1
InChIKeyYZKRQAXZEJMXBP-GXSJLCMTSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane (CID 23328369) is tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC[C@H]2CO[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane?
The InChIKey is YZKRQAXZEJMXBP-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-7-6-9-8-13-11(10)14-9/h7,9,11H,6,8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane has a molecular weight of 242.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-en-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 23328369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).