5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one

C17H32O2Si — CID 10494187

IUPAC5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one
SMILESCC1(CCCCCO[Si](C)(C)C(C)(C)C)CC=CC1=O
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-14-9-7-8-12-17(4)13-10-11-15(17)18/h10-11H,7-9,12-14H2,1-6H3
InChIKeyLYPZUXQAYZQJKZ-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds7

About 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one

5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one (PubChem CID 10494187) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one
PubChem CID10494187
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one
SMILESCC1(CCCCCO[Si](C)(C)C(C)(C)C)CC=CC1=O
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-14-9-7-8-12-17(4)13-10-11-15(17)18/h10-11H,7-9,12-14H2,1-6H3
InChIKeyLYPZUXQAYZQJKZ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one?
The IUPAC name of 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one (CID 10494187) is 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one is CC1(CCCCCO[Si](C)(C)C(C)(C)C)CC=CC1=O.
What is the InChIKey of 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one?
The InChIKey is LYPZUXQAYZQJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)20(5,6)19-14-9-7-8-12-17(4)13-10-11-15(17)18/h10-11H,7-9,12-14H2,1-6H3.
What are the key properties of 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one?
5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one has a molecular weight of 296.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10494187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).