tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane

C13H24O2Si — CID 91870807

IUPACtert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2O[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-8-10(9(2)12-11(8)14-12)15-16(6,7)13(3,4)5/h9-12H,1H2,2-7H3/t9-,10+,11+,12-/m1/s1
InChIKeyQEGGYCXPXKCWRX-NOOOWODRSA-N
MW240.42 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane (PubChem CID 91870807) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
PubChem CID91870807
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2O[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-8-10(9(2)12-11(8)14-12)15-16(6,7)13(3,4)5/h9-12H,1H2,2-7H3/t9-,10+,11+,12-/m1/s1
InChIKeyQEGGYCXPXKCWRX-NOOOWODRSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane (CID 91870807) is tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane is C=C1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2O[C@@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane?
The InChIKey is QEGGYCXPXKCWRX-NOOOWODRSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-8-10(9(2)12-11(8)14-12)15-16(6,7)13(3,4)5/h9-12H,1H2,2-7H3/t9-,10+,11+,12-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane has a molecular weight of 240.42 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2S,3R,5S)-2-methyl-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane is sourced from PubChem (CID 91870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).