1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one

C16H32OSi — CID 10825813

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one
SMILESCC1CCC(CCCC(=O)[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-13-10-11-14(12-13)8-7-9-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyRNKFYSXAWDKJCZ-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.21
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one

1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one (PubChem CID 10825813) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one
PubChem CID10825813
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one
SMILESCC1CCC(CCCC(=O)[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-13-10-11-14(12-13)8-7-9-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyRNKFYSXAWDKJCZ-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.21
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

2-(2-Trimethylsilylethyl)cyclododecan-1-one
CID 10333999
2-(3-Trimethylsilylpropyl)cyclopentan-1-one
CID 10397850
2-(3-Trimethylsilylpropyl)cyclododecan-1-one
CID 10469876
2,5-Bis(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11347277
1-[Bis(16-methylheptadecanoyl)-propan-2-ylsilyl]-16-methylheptadecan-1-one
CID 149769785
1-Cyclopentyl-11-[dimethoxy(methyl)silyl]undecan-1-one
CID 172081581
1-[(1R,3R)-3-tri(propan-2-yl)silylcyclopentyl]ethanone
CID 10015875
1-[(1R,3S)-3-tri(propan-2-yl)silylcyclopentyl]ethanone
CID 10061596
3-[(1R,3S)-3-methylcyclopentyl]-1-trimethylsilylpropan-1-one
CID 10536527
1-[tert-butyl(dimethyl)silyl]-3-[(1R,3S)-3-methylcyclopentyl]propan-1-one
CID 10610997
1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one
CID 10635632
4-[(1S,2S)-2-methylcyclopentyl]-1-trimethylsilylbutan-1-one
CID 10751752

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one (CID 10825813) is 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one is CC1CCC(CCCC(=O)[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one?
The InChIKey is RNKFYSXAWDKJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13-10-11-14(12-13)8-7-9-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one?
1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one has a molecular weight of 268.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(3-methylcyclopentyl)butan-1-one is sourced from PubChem (CID 10825813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).