4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one

C18H32OSi — CID 10803616

IUPAC4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one
SMILESCCCCC1=C([Si](C)(C)C)C(=O)C(CCC)=C1CCC
InChIInChI=1S/C18H32OSi/c1-7-10-13-16-14(11-8-2)15(12-9-3)17(19)18(16)20(4,5)6/h7-13H2,1-6H3
InChIKeyFHHSGNJJRMABCF-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.83
Rot. Bonds8

About 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one

4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one (PubChem CID 10803616) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one
PubChem CID10803616
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one
SMILESCCCCC1=C([Si](C)(C)C)C(=O)C(CCC)=C1CCC
InChIInChI=1S/C18H32OSi/c1-7-10-13-16-14(11-8-2)15(12-9-3)17(19)18(16)20(4,5)6/h7-13H2,1-6H3
InChIKeyFHHSGNJJRMABCF-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one?
The IUPAC name of 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one (CID 10803616) is 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one is CCCCC1=C([Si](C)(C)C)C(=O)C(CCC)=C1CCC.
What is the InChIKey of 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one?
The InChIKey is FHHSGNJJRMABCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-7-10-13-16-14(11-8-2)15(12-9-3)17(19)18(16)20(4,5)6/h7-13H2,1-6H3.
What are the key properties of 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one?
4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one has a molecular weight of 292.54 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 10803616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).