9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one

C15H26O6Si — CID 58773637

IUPAC9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2(OCCO2)C(O)C(O)C1=O
InChIInChI=1S/C15H26O6Si/c1-14(2,3)22(4,5)21-9-10-8-15(19-6-7-20-15)13(18)12(17)11(10)16/h8,12-13,17-18H,6-7,9H2,1-5H3
InChIKeyGBVOTXDEKDQUNE-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.98
Rot. Bonds3

About 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one

9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 58773637) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID58773637
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2(OCCO2)C(O)C(O)C1=O
InChIInChI=1S/C15H26O6Si/c1-14(2,3)22(4,5)21-9-10-8-15(19-6-7-20-15)13(18)12(17)11(10)16/h8,12-13,17-18H,6-7,9H2,1-5H3
InChIKeyGBVOTXDEKDQUNE-UHFFFAOYSA-N
XLogP0.98
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-6-hydroxyhex-2-enoate
CID 46189513
(3aR,4S,6R,7Z,9aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-4,5,6,9a-tetrahydro-3aH-cycloocta[d][1,3]dioxol-9-one
CID 139262763
(3aS,4R,7aR)-4-hydroxy-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 639202
(3aS,4R,7aR)-4-hydroxy-6-(hydroxymethyl)spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-one
CID 11357242
(3aR,4S,7aS)-4-hydroxy-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 22298113
[1,5,6-Trihydroxy-3-(hydroxymethyl)-4-oxocyclohex-2-en-1-yl] acetate
CID 141746554
methyl (3aR,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 11199152
(1R,5S,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 11323197
(2R,3R,4aS,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-8,8a-dihydro-4aH-1,4-benzodioxin-5-one
CID 11429564
methyl (3aR,6R,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 12964935
(4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
CID 72695867
(4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
CID 72697565

Frequently Asked Questions

What is the IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 58773637) is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one is CC(C)(C)[Si](C)(C)OCC1=CC2(OCCO2)C(O)C(O)C1=O.
What is the InChIKey of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is GBVOTXDEKDQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-14(2,3)22(4,5)21-9-10-8-15(19-6-7-20-15)13(18)12(17)11(10)16/h8,12-13,17-18H,6-7,9H2,1-5H3.
What are the key properties of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one?
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 330.45 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 58773637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).