2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one

C17H30O3Si — CID 102254221

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one
SMILESCC1=CC(C2(O[Si](C)(C)C(C)(C)C)CCCC2C)OC1=O
InChIInChI=1S/C17H30O3Si/c1-12-11-14(19-15(12)18)17(10-8-9-13(17)2)20-21(6,7)16(3,4)5/h11,13-14H,8-10H2,1-7H3
InChIKeyHEJKUQSCXZCDCZ-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.44
Rot. Bonds3

About 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one

2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one (PubChem CID 102254221) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one
PubChem CID102254221
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one
SMILESCC1=CC(C2(O[Si](C)(C)C(C)(C)C)CCCC2C)OC1=O
InChIInChI=1S/C17H30O3Si/c1-12-11-14(19-15(12)18)17(10-8-9-13(17)2)20-21(6,7)16(3,4)5/h11,13-14H,8-10H2,1-7H3
InChIKeyHEJKUQSCXZCDCZ-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one (CID 102254221) is 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one is CC1=CC(C2(O[Si](C)(C)C(C)(C)C)CCCC2C)OC1=O.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one?
The InChIKey is HEJKUQSCXZCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-12-11-14(19-15(12)18)17(10-8-9-13(17)2)20-21(6,7)16(3,4)5/h11,13-14H,8-10H2,1-7H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one?
2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one has a molecular weight of 310.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentyl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 102254221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).