1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone

C17H26OSi — CID 14295015

IUPAC1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone
SMILESCC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCCC2
InChIInChI=1S/C17H26OSi/c1-12-14-9-7-6-8-10-15(14)16(13(2)18)11-17(12)19(3,4)5/h11H,6-10H2,1-5H3
InChIKeyXTKGYTLPGUUQTQ-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.01
Rot. Bonds2

About 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone

1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone (PubChem CID 14295015) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone
PubChem CID14295015
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone
SMILESCC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCCC2
InChIInChI=1S/C17H26OSi/c1-12-14-9-7-6-8-10-15(14)16(13(2)18)11-17(12)19(3,4)5/h11H,6-10H2,1-5H3
InChIKeyXTKGYTLPGUUQTQ-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.01
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 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone?
The IUPAC name of 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone (CID 14295015) is 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone is CC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCCC2.
What is the InChIKey of 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone?
The InChIKey is XTKGYTLPGUUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-12-14-9-7-6-8-10-15(14)16(13(2)18)11-17(12)19(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone?
1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone has a molecular weight of 274.48 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone is sourced from PubChem (CID 14295015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).