tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane

C15H28O4Si — CID 58766039

IUPACtert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
SMILESCC1(C)OC[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)18-12-9-8-10-16-15(12)11-17-14(4,5)19-15/h8-9,12H,10-11H2,1-7H3/t12-,15-/m0/s1
InChIKeyIKDCLBANLADGMG-WFASDCNBSA-N
MW300.47 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane

tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane (PubChem CID 58766039) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
PubChem CID58766039
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nametert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
SMILESCC1(C)OC[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)18-12-9-8-10-16-15(12)11-17-14(4,5)19-15/h8-9,12H,10-11H2,1-7H3/t12-,15-/m0/s1
InChIKeyIKDCLBANLADGMG-WFASDCNBSA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate
CID 11014510
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
CID 14774930
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl (3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766059
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
CID 101410633
[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11291955
(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
CID 101098885
tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane
CID 11175288
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane (CID 58766039) is tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane is CC1(C)OC[C@]2(OCC=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane?
The InChIKey is IKDCLBANLADGMG-WFASDCNBSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-13(2,3)20(6,7)18-12-9-8-10-16-15(12)11-17-14(4,5)19-15/h8-9,12H,10-11H2,1-7H3/t12-,15-/m0/s1.
What are the key properties of tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane?
tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane has a molecular weight of 300.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58766039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).