1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one

C16H32OSi — CID 10635632

IUPAC1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one
SMILESC[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-13-9-7-10-14(13)11-8-12-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m0/s1
InChIKeyGSENWBMPFOATFS-KBPBESRZSA-N
MW268.52 g/mol
LogP5.21
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one

1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one (PubChem CID 10635632) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one
PubChem CID10635632
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one
SMILESC[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-13-9-7-10-14(13)11-8-12-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m0/s1
InChIKeyGSENWBMPFOATFS-KBPBESRZSA-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'}

Analyze 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 176439209
CID 176439209
1-[(1S,15S,17R)-17-[tert-butyl(difluoro)silyl]-1-bicyclo[13.3.0]octadecanyl]ethanone
CID 11112459
2-(2-Trimethylsilylethyl)cyclododecan-1-one
CID 10333999
2-(3-Trimethylsilylpropyl)cyclododecan-1-one
CID 10469876
(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
CID 102247209
1-Cyclopentyl-11-[dimethoxy(methyl)silyl]undecan-1-one
CID 172081581
1-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
CID 9991905
1-[(1R,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10012983
1-[(1S,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10035641
1-[(1S,2S,3R)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10035642
1-[(1R,2S,3S)-2-methyl-3-trimethylsilylcyclopentyl]ethanone
CID 10330373
1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
CID 10354290

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one (CID 10635632) is 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one is C[C@H]1CCC[C@H]1CCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one?
The InChIKey is GSENWBMPFOATFS-KBPBESRZSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13-9-7-10-14(13)11-8-12-15(17)18(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-methylcyclopentyl]butan-1-one?
1-[tert-butyl(dimethyl)silyl]-4-[(1S,2S)-2-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-[(1S,2S)-2-methylcyclopentyl]butan-1-one is sourced from PubChem (CID 10635632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).