tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane

C14H26O2Si — CID 135084458

IUPACtert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-14(4)9-11-7-8-12(10-14)15-11/h7-8,11-12H,9-10H2,1-6H3/t11-,12+,14?
InChIKeyTZKGUSYNFMXSJU-ONXXMXGDSA-N
MW254.45 g/mol
LogP3.88
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane (PubChem CID 135084458) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane
PubChem CID135084458
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane
SMILESCC1(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-14(4)9-11-7-8-12(10-14)15-11/h7-8,11-12H,9-10H2,1-6H3/t11-,12+,14?
InChIKeyTZKGUSYNFMXSJU-ONXXMXGDSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.88
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
tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 10080769
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
Trimethyl(1-oxaspiro[4.5]dec-3-en-4-yl)silane
CID 13382787
Trimethyl-(2-propyl-1-oxaspiro[4.5]dec-3-en-4-yl)silane
CID 13567513
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
Tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane
CID 68631183
(2R,4S)-3-ethoxy-2,3,4-trimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 122679546
[(Z)-3-[(2S,4R,6R)-4-butoxy-6-ethenyloxan-2-yl]prop-2-enoxy]-tert-butyl-dimethylsilane
CID 173696493
tert-butyl-dimethyl-[[(1R,6S)-1-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-yl]oxy]silane
CID 173863159
tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
CID 10945458

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane (CID 135084458) is tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane is CC1(O[Si](C)(C)C(C)(C)C)C[C@H]2C=C[C@@H](C1)O2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane?
The InChIKey is TZKGUSYNFMXSJU-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-14(4)9-11-7-8-12(10-14)15-11/h7-8,11-12H,9-10H2,1-6H3/t11-,12+,14?.
What are the key properties of tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane has a molecular weight of 254.45 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane is sourced from PubChem (CID 135084458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).