5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one

C15H28O4Si — CID 11098627

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
SMILESCOC1(CCCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)18-12-8-7-10-15(17-4)11-9-13(16)19-15/h9,11H,7-8,10,12H2,1-6H3
InChIKeyRCBCWIZOBMIHLJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.63
Rot. Bonds7

About 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one

5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one (PubChem CID 11098627) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
PubChem CID11098627
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
SMILESCOC1(CCCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)18-12-8-7-10-15(17-4)11-9-13(16)19-15/h9,11H,7-8,10,12H2,1-6H3
InChIKeyRCBCWIZOBMIHLJ-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal
CID 11245118
methyl (E,4R)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 11405217
methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 15466795
methyl (2E,4S)-4-[[(3R,7S)-7-acetyloxyoct-1-en-3-yl]oxy-di(propan-2-yl)silyl]oxyhexa-2,5-dienoate
CID 45258843
methyl (2E,4S,5Z,7R,11S)-11-acetyloxy-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]dodeca-2,5-dienoate
CID 45258845
5-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one
CID 102217037
5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one
CID 102327034
5-[3-[Tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one
CID 102453291
(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
CID 177425680

Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one (CID 11098627) is 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one is COC1(CCCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one?
The InChIKey is RCBCWIZOBMIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)18-12-8-7-10-15(17-4)11-9-13(16)19-15/h9,11H,7-8,10,12H2,1-6H3.
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one?
5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one has a molecular weight of 300.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 11098627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).