tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane

C14H25ClO2Si — CID 11358206

IUPACtert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(Cl)O2
InChIInChI=1S/C14H25ClO2Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12H,6-7,9H2,1-5H3/t11-,12?,14+/m1/s1
InChIKeyGCNBIDIRJGWLMF-SOGVLRHJSA-N
MW288.89 g/mol
LogP4.45
Rot. Bonds2

About tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane

tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane (PubChem CID 11358206) has the molecular formula C14H25ClO2Si and a molecular weight of 288.89 g/mol. Its IUPAC name is tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane
PubChem CID11358206
Molecular FormulaC14H25ClO2Si
Molecular Weight288.89 g/mol
Exact Mass288.13
IUPAC Nametert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(Cl)O2
InChIInChI=1S/C14H25ClO2Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12H,6-7,9H2,1-5H3/t11-,12?,14+/m1/s1
InChIKeyGCNBIDIRJGWLMF-SOGVLRHJSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl(dimethyl)silyl (5S,6R)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 10634730
tert-butyl(dimethyl)silyl (5S,6S)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 99772384

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane (CID 11358206) is tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CC(Cl)O2.
What is the InChIKey of tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane?
The InChIKey is GCNBIDIRJGWLMF-SOGVLRHJSA-N. The full InChI is InChI=1S/C14H25ClO2Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h8,10-12H,6-7,9H2,1-5H3/t11-,12?,14+/m1/s1.
What are the key properties of tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane?
tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane has a molecular weight of 288.89 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11358206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).