5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one

C21H36O5Si — CID 10739546

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one
SMILESCC(C)=Cc1oc(=O)c(OC(C)C)c(OC(C)C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O5Si/c1-13(2)12-16-17(26-27(10,11)21(7,8)9)18(23-14(3)4)19(20(22)25-16)24-15(5)6/h12,14-15H,1-11H3
InChIKeySBHLULMDRUKNGB-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.02
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one

5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one (PubChem CID 10739546) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one
PubChem CID10739546
Molecular FormulaC21H36O5Si
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one
SMILESCC(C)=Cc1oc(=O)c(OC(C)C)c(OC(C)C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O5Si/c1-13(2)12-16-17(26-27(10,11)21(7,8)9)18(23-14(3)4)19(20(22)25-16)24-15(5)6/h12,14-15H,1-11H3
InChIKeySBHLULMDRUKNGB-UHFFFAOYSA-N
XLogP6.02
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one (CID 10739546) is 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one is CC(C)=Cc1oc(=O)c(OC(C)C)c(OC(C)C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one?
The InChIKey is SBHLULMDRUKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-13(2)12-16-17(26-27(10,11)21(7,8)9)18(23-14(3)4)19(20(22)25-16)24-15(5)6/h12,14-15H,1-11H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one has a molecular weight of 396.60 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one is sourced from PubChem (CID 10739546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).