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

C14H26O2Si — CID 10634730

IUPACtert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CCO2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-8-6-9-14(12)10-7-11-15-14/h7,10,12H,6,8-9,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyYVNRTQQBMAJHIJ-OCCSQVGLSA-N
MW254.45 g/mol
LogP3.89
Rot. Bonds2

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

tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane (PubChem CID 10634730) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane
PubChem CID10634730
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CCO2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-8-6-9-14(12)10-7-11-15-14/h7,10,12H,6,8-9,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyYVNRTQQBMAJHIJ-OCCSQVGLSA-N
XLogP3.89
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 ≤ 53.89
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

(5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 10563859
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 10801878
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-ol
CID 11277249
tert-butyl-[[(5S,9R)-2-chloro-1-oxaspiro[4.4]non-3-en-9-yl]oxy]-dimethylsilane
CID 11358206
[(3E,3aS,6aR)-3-ethylidene-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl]oxy-triethylsilane
CID 46901142
tert-butyl-dimethyl-[[(1R,4R,5R)-5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy]silane
CID 60203813
tert-butyl(dimethyl)silyl (5S,6S)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 99772384
(2R,5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-ol
CID 99772389
(5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 99772822
(6S)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 117070998

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane (CID 10634730) is tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CCO2.
What is the InChIKey of tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane?
The InChIKey is YVNRTQQBMAJHIJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-8-6-9-14(12)10-7-11-15-14/h7,10,12H,6,8-9,11H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane?
tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane has a molecular weight of 254.45 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(5S,9R)-1-oxaspiro[4.4]non-3-en-9-yl]oxy]silane is sourced from PubChem (CID 10634730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).