9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione

C15H26O6Si — CID 91115264

IUPAC9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(OCCO2)C(=O)C(=O)C1O
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/h10-11,16H,6-9H2,1-5H3
InChIKeyQDLGYLWKAMNRGE-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.27
Rot. Bonds3

About 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione

9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione (PubChem CID 91115264) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione.

Molecular Properties

Compound Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione
PubChem CID91115264
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(OCCO2)C(=O)C(=O)C1O
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/h10-11,16H,6-9H2,1-5H3
InChIKeyQDLGYLWKAMNRGE-UHFFFAOYSA-N
XLogP1.27
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 134855082
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 154429024
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
(1R,4S,5R,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 101368826
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
[(2R,3R,5S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]oxolan-2-yl]methanol
CID 11624432

Frequently Asked Questions

What is the IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione?
The IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione (CID 91115264) is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione.
What is the SMILES notation for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione?
The canonical SMILES for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione is CC(C)(C)[Si](C)(C)OCC1CC2(OCCO2)C(=O)C(=O)C1O.
What is the InChIKey of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione?
The InChIKey is QDLGYLWKAMNRGE-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/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione?
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione has a molecular weight of 330.45 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione is sourced from PubChem (CID 91115264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).