1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone

C18H36OSi — CID 10859440

IUPAC1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]([Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C18H36OSi/c1-11(2)20(12(3)4,13(5)6)18-10-17(16(9)19)14(7)15(18)8/h11-15,17-18H,10H2,1-9H3/t14-,15-,17-,18-/m0/s1
InChIKeyJLCPYTASALBVCZ-LAQRGFTBSA-N
MW296.57 g/mol
LogP5.92
Rot. Bonds5

About 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone

1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone (PubChem CID 10859440) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone
PubChem CID10859440
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]([Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C18H36OSi/c1-11(2)20(12(3)4,13(5)6)18-10-17(16(9)19)14(7)15(18)8/h11-15,17-18H,10H2,1-9H3/t14-,15-,17-,18-/m0/s1
InChIKeyJLCPYTASALBVCZ-LAQRGFTBSA-N
XLogP5.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone with MolForge

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Related Compounds

15-Keto-prostane
CID 129729675
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
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)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
2,2,5,5-Tetramethyl-3-(trimethylsilylmethyl)cyclopentanone
CID 101624337
(2R,5S)-4,4-dimethyl-2-tri(propan-2-yl)silylspiro[4.4]nonan-9-one
CID 102247209
1-(3-Butan-2-yl-1-tert-butyl-2-ethylcyclopentyl)ethanone
CID 20493053
5,5,9-Trimethyl-1-trimethylsilyldecan-2-one
CID 56989741
1-(3-Butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone
CID 57150588

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone (CID 10859440) is 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone is CC(=O)[C@H]1C[C@H]([Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@@H]1C.
What is the InChIKey of 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone?
The InChIKey is JLCPYTASALBVCZ-LAQRGFTBSA-N. The full InChI is InChI=1S/C18H36OSi/c1-11(2)20(12(3)4,13(5)6)18-10-17(16(9)19)14(7)15(18)8/h11-15,17-18H,10H2,1-9H3/t14-,15-,17-,18-/m0/s1.
What are the key properties of 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone?
1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone has a molecular weight of 296.57 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3S,4S)-2,3-dimethyl-4-tri(propan-2-yl)silylcyclopentyl]ethanone is sourced from PubChem (CID 10859440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).