7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

C16H26OSi — CID 135067575

IUPAC7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESCCCCC1=C2C(=CC(=O)C2[Si](C)(C)C)CCC1
InChIInChI=1S/C16H26OSi/c1-5-6-8-12-9-7-10-13-11-14(17)16(15(12)13)18(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyTYDSIRHDQULCKB-UHFFFAOYSA-N
MW262.47 g/mol
LogP4.87
Rot. Bonds4

About 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (PubChem CID 135067575) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.

Molecular Properties

Compound Name7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
PubChem CID135067575
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESCCCCC1=C2C(=CC(=O)C2[Si](C)(C)C)CCC1
InChIInChI=1S/C16H26OSi/c1-5-6-8-12-9-7-10-13-11-14(17)16(15(12)13)18(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyTYDSIRHDQULCKB-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.87
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 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The IUPAC name of 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (CID 135067575) is 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.
What is the SMILES notation for 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The canonical SMILES for 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is CCCCC1=C2C(=CC(=O)C2[Si](C)(C)C)CCC1.
What is the InChIKey of 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The InChIKey is TYDSIRHDQULCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-5-6-8-12-9-7-10-13-11-14(17)16(15(12)13)18(2,3)4/h11,16H,5-10H2,1-4H3.
What are the key properties of 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one has a molecular weight of 262.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is sourced from PubChem (CID 135067575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).