(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione

C12H20O4Si — CID 11139742

IUPAC(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C=CC1=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10H,8H2,1-5H3/t10-/m1/s1
InChIKeyXMRMJGUMIIXXRX-SNVBAGLBSA-N
MW256.37 g/mol
LogP2.06
Rot. Bonds3

About (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione

(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione (PubChem CID 11139742) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione.

Molecular Properties

Compound Name(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione
PubChem CID11139742
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C=CC1=O
InChIInChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10H,8H2,1-5H3/t10-/m1/s1
InChIKeyXMRMJGUMIIXXRX-SNVBAGLBSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
tert-butyl [(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 11439780
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
[Tert-butyl(dimethyl)silyl] 3-(3-oxoprop-1-enyl)oxirane-2-carboperoxoate
CID 124024334
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
(4-Oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
CID 139257712
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
6-t-Butyldimethylsilyloxymethyl-5,6-dihydropyran-2-one
CID 19389481
(7Z,13Z)-3-tri(propan-2-yl)silyloxy-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 142724535
methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965
[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 10759755
[(2R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 10807268

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione?
The IUPAC name of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione (CID 11139742) is (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione.
What is the SMILES notation for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione?
The canonical SMILES for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C=CC1=O.
What is the InChIKey of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione?
The InChIKey is XMRMJGUMIIXXRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-12(2,3)17(4,5)15-8-10-9(13)6-7-11(14)16-10/h6-7,10H,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione?
(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione has a molecular weight of 256.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2,5-dione is sourced from PubChem (CID 11139742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).