tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane

C13H24O3Si — CID 10563054

IUPACtert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)O[C@H]2O[C@H](C)[C@@H]12
InChIInChI=1S/C13H24O3Si/c1-8-10-9(2)14-12(10)15-11(8)16-17(6,7)13(3,4)5/h9-10,12H,1-7H3/t9-,10-,12-/m1/s1
InChIKeyMSAMWIXFAIBZDM-CKYFFXLPSA-N
MW256.42 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane (PubChem CID 10563054) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane
PubChem CID10563054
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nametert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)O[C@H]2O[C@H](C)[C@@H]12
InChIInChI=1S/C13H24O3Si/c1-8-10-9(2)14-12(10)15-11(8)16-17(6,7)13(3,4)5/h9-10,12H,1-7H3/t9-,10-,12-/m1/s1
InChIKeyMSAMWIXFAIBZDM-CKYFFXLPSA-N
XLogP3.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.63
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-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane (CID 10563054) is tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane is CC1=C(O[Si](C)(C)C(C)(C)C)O[C@H]2O[C@H](C)[C@@H]12.
What is the InChIKey of tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane?
The InChIKey is MSAMWIXFAIBZDM-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-10-9(2)14-12(10)15-11(8)16-17(6,7)13(3,4)5/h9-10,12H,1-7H3/t9-,10-,12-/m1/s1.
What are the key properties of tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane has a molecular weight of 256.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,5R,6R)-4,6-dimethyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10563054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).