tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

C13H24O2Si — CID 132595409

IUPACtert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C13H24O2Si/c1-9-10-7-8-11(14-10)12(9)15-16(5,6)13(2,3)4/h7-12H,1-6H3/t9-,10-,11+,12-/m0/s1
InChIKeyYDONXXKHDXBWSI-YFKTTZPYSA-N
MW240.42 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (PubChem CID 132595409) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
PubChem CID132595409
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C13H24O2Si/c1-9-10-7-8-11(14-10)12(9)15-16(5,6)13(2,3)4/h7-12H,1-6H3/t9-,10-,11+,12-/m0/s1
InChIKeyYDONXXKHDXBWSI-YFKTTZPYSA-N
XLogP3.35
TPSA18.46 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'}

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Related Compounds

trimethyl-[[(1S,5R)-7-methylidene-6-oxabicyclo[3.2.1]oct-3-en-1-yl]oxy]silane
CID 134832645
[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 15174750
[(2R,3aR,7aR)-2-ethenyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202927
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
5-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 91147298
tert-butyl-[(1R,4S,5R)-4-methoxy-3,5-dimethylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 101901408
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
CID 139263633
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
Trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
CID 20649998

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (CID 132595409) is tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@@H]1O2.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The InChIKey is YDONXXKHDXBWSI-YFKTTZPYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-9-10-7-8-11(14-10)12(9)15-16(5,6)13(2,3)4/h7-12H,1-6H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-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,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is sourced from PubChem (CID 132595409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).