2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one

C13H26O2Si — CID 101029162

IUPAC2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-13(2,3)12(14)10-8-7-9-11(10)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyGEMWBQGRUOMDAY-WDEREUQCSA-N
MW242.43 g/mol
LogP3.62
Rot. Bonds3

About 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one

2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one (PubChem CID 101029162) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one
PubChem CID101029162
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CCC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-13(2,3)12(14)10-8-7-9-11(10)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyGEMWBQGRUOMDAY-WDEREUQCSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
CID 124704154
trimethyl-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxysilane
CID 58864550
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
tert-butyl-[(1S,2R)-2-[(E)-1-iodoprop-1-en-2-yl]cyclohexyl]oxy-dimethylsilane
CID 71619673
trimethyl-[(1S,2R)-2-methylcyclohexyl]oxysilane
CID 91713350
2,2-dimethyl-1-[(1R,5S)-3-oxabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 135302142
trans-(2S,3S)-3-(2,2-dimethylpropanoyl)-2-methylcyclohexan-1-one
CID 71383809
[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane
CID 125483603
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one (CID 101029162) is 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one is CC(C)(C)C(=O)[C@H]1CCC[C@H]1O[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one?
The InChIKey is GEMWBQGRUOMDAY-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)12(14)10-8-7-9-11(10)15-16(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one?
2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1S,2R)-2-trimethylsilyloxycyclopentyl]propan-1-one is sourced from PubChem (CID 101029162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).