5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one

C16H24OSi — CID 100968419

IUPAC5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCCCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C16H24OSi/c1-5-6-7-12-10-13-8-9-14(17)16(13)15(11-12)18(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyNNXDCELBLYPABT-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.70
Rot. Bonds4

About 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one

5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one (PubChem CID 100968419) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one
PubChem CID100968419
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCCCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C16H24OSi/c1-5-6-7-12-10-13-8-9-14(17)16(13)15(11-12)18(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyNNXDCELBLYPABT-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Celestolide
CID 61585
Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
Phantolide
CID 47167
Traseolide
CID 50256
2-Acetylfluorene
CID 69908
4'-tert-Butyl-2',6'-dimethylacetophenone
CID 74879
1,1'-(9H-Fluorene-2,7-diyl)di(ethan-1-one)
CID 283001
2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477
Ethanone, 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-
CID 91696
1-(2,4,5-Trimethylphenyl)ethan-1-one
CID 74878
1-(2,3,5,6-Tetramethyl-phenyl)-ethanone
CID 252692
5-Methyl-1-indanone
CID 10130031

Frequently Asked Questions

What is the IUPAC name of 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one (CID 100968419) is 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one is CCCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2.
What is the InChIKey of 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one?
The InChIKey is NNXDCELBLYPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-6-7-12-10-13-8-9-14(17)16(13)15(11-12)18(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one?
5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one has a molecular weight of 260.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7-trimethylsilyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 100968419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).