2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one

C16H28O2Si — CID 67895853

IUPAC2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
SMILESCCCC=C1C=CC(CCCC)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C16H28O2Si/c1-6-8-10-14-11-13-16(15(14)17,12-9-7-2)18-19(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyIJUZNIINHCBWOT-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.63
Rot. Bonds7

About 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one

2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one (PubChem CID 67895853) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one.

Molecular Properties

Compound Name2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
PubChem CID67895853
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one
SMILESCCCC=C1C=CC(CCCC)(O[Si](C)(C)C)C1=O
InChIInChI=1S/C16H28O2Si/c1-6-8-10-14-11-13-16(15(14)17,12-9-7-2)18-19(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyIJUZNIINHCBWOT-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one?
The IUPAC name of 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one (CID 67895853) is 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one.
What is the SMILES notation for 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one?
The canonical SMILES for 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one is CCCC=C1C=CC(CCCC)(O[Si](C)(C)C)C1=O.
What is the InChIKey of 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one?
The InChIKey is IJUZNIINHCBWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-8-10-14-11-13-16(15(14)17,12-9-7-2)18-19(3,4)5/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one?
2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-butylidene-2-trimethylsilyloxycyclopent-3-en-1-one is sourced from PubChem (CID 67895853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).