5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one

C21H40O2Si — CID 69120837

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C21H40O2Si/c1-8-10-12-14-17-16-19(23-24(6,7)21(3,4)5)20(22)18(17)15-13-11-9-2/h19H,8-16H2,1-7H3
InChIKeyKIGYSVORWZHLQR-UHFFFAOYSA-N
MW352.64 g/mol
LogP6.81
Rot. Bonds10

About 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one

5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one (PubChem CID 69120837) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one
PubChem CID69120837
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CCCCC)C(=O)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C21H40O2Si/c1-8-10-12-14-17-16-19(23-24(6,7)21(3,4)5)20(22)18(17)15-13-11-9-2/h19H,8-16H2,1-7H3
InChIKeyKIGYSVORWZHLQR-UHFFFAOYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.81
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-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one (CID 69120837) is 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one is CCCCCC1=C(CCCCC)C(=O)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one?
The InChIKey is KIGYSVORWZHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-8-10-12-14-17-16-19(23-24(6,7)21(3,4)5)20(22)18(17)15-13-11-9-2/h19H,8-16H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one?
5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one has a molecular weight of 352.64 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one is sourced from PubChem (CID 69120837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).