(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one

C16H33NO2Si — CID 91080488

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
SMILESCCN(CC)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H33NO2Si/c1-8-17(9-2)12-13-10-14(11-15(13)18)19-20(6,7)16(3,4)5/h13-14H,8-12H2,1-7H3/t13?,14-/m0/s1
InChIKeyNTCQXDKGUXVOKZ-KZUDCZAMSA-N
MW299.53 g/mol
LogP3.70
Rot. Bonds6

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one (PubChem CID 91080488) has the molecular formula C16H33NO2Si and a molecular weight of 299.53 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
PubChem CID91080488
Molecular FormulaC16H33NO2Si
Molecular Weight299.53 g/mol
Exact Mass299.23
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one
SMILESCCN(CC)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H33NO2Si/c1-8-17(9-2)12-13-10-14(11-15(13)18)19-20(6,7)16(3,4)5/h13-14H,8-12H2,1-7H3/t13?,14-/m0/s1
InChIKeyNTCQXDKGUXVOKZ-KZUDCZAMSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
CID 11047381
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylbicyclo[3.2.1]octan-2-one
CID 102300600
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
CID 15341503

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one (CID 91080488) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one is CCN(CC)CC1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one?
The InChIKey is NTCQXDKGUXVOKZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H33NO2Si/c1-8-17(9-2)12-13-10-14(11-15(13)18)19-20(6,7)16(3,4)5/h13-14H,8-12H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one has a molecular weight of 299.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(diethylaminomethyl)cyclopentan-1-one is sourced from PubChem (CID 91080488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).