1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone

C16H24OSi — CID 14295014

IUPAC1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
SMILESCC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCC2
InChIInChI=1S/C16H24OSi/c1-11-13-8-6-7-9-14(13)15(12(2)17)10-16(11)18(3,4)5/h10H,6-9H2,1-5H3
InChIKeyMMBFNTZRQDQMKA-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.62
Rot. Bonds2

About 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone

1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 14295014) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
PubChem CID14295014
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
SMILESCC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCC2
InChIInChI=1S/C16H24OSi/c1-11-13-8-6-7-9-14(13)15(12(2)17)10-16(11)18(3,4)5/h10H,6-9H2,1-5H3
InChIKeyMMBFNTZRQDQMKA-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.62
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-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone (CID 14295014) is 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone is CC(=O)c1cc([Si](C)(C)C)c(C)c2c1CCCC2.
What is the InChIKey of 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is MMBFNTZRQDQMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-11-13-8-6-7-9-14(13)15(12(2)17)10-16(11)18(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 260.45 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 14295014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).