4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one

C18H34O4Si2 — CID 19389479

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(O[Si](C)(C)C(C)(C)C)cc(=O)o1
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)20-13-15-11-14(12-16(19)21-15)22-24(9,10)18(4,5)6/h11-12H,13H2,1-10H3
InChIKeyMOESQSHTNWEFLJ-UHFFFAOYSA-N
MW370.64 g/mol
LogP5.55
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one

4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one (PubChem CID 19389479) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one
PubChem CID19389479
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(O[Si](C)(C)C(C)(C)C)cc(=O)o1
InChIInChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)20-13-15-11-14(12-16(19)21-15)22-24(9,10)18(4,5)6/h11-12H,13H2,1-10H3
InChIKeyMOESQSHTNWEFLJ-UHFFFAOYSA-N
XLogP5.55
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 55.55
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

ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
CID 135041549
ethyl (2E,4Z)-6,6-bis(triethylsilyl)-4-[(E)-3-trimethylsilylprop-2-enoxy]hexa-2,4-dienoate
CID 135062681
tert-butyl (2E,4Z)-4-prop-2-enoxy-6,6-bis(triethylsilyl)hexa-2,4-dienoate
CID 135062687
6-t-Butyldimethylsilyloxymethyl-4-hydroxypyran-2-one
CID 54686174
6-[[Butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one
CID 54734627
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl (2Z)-4-hydroxypenta-2,4-dienoate
CID 89940939
4-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 145824131
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;ethyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 158019472
(5Z)-3,4-dibutoxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]furan-2-one
CID 173594685
5-[Tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)-3,4-di(propan-2-yloxy)pyran-2-one
CID 10739546
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybut-2-enoate
CID 12027327
2,2-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1,3-dioxin-4-one
CID 21576593

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one (CID 19389479) is 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one is CC(C)(C)[Si](C)(C)OCc1cc(O[Si](C)(C)C(C)(C)C)cc(=O)o1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one?
The InChIKey is MOESQSHTNWEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-17(2,3)23(7,8)20-13-15-11-14(12-16(19)21-15)22-24(9,10)18(4,5)6/h11-12H,13H2,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one has a molecular weight of 370.64 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-2-one is sourced from PubChem (CID 19389479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).