1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone

C14H28OSi — CID 10354290

IUPAC1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H]([Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C14H28OSi/c1-10-12(11(2)15)8-9-13(10)16(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m0/s1
InChIKeySICZSVCABNYOID-UHTWSYAYSA-N
MW240.46 g/mol
LogP4.50
Rot. Bonds2

About 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone

1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone (PubChem CID 10354290) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
PubChem CID10354290
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H]([Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C14H28OSi/c1-10-12(11(2)15)8-9-13(10)16(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m0/s1
InChIKeySICZSVCABNYOID-UHTWSYAYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone (CID 10354290) is 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone is CC(=O)[C@@H]1CC[C@H]([Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone?
The InChIKey is SICZSVCABNYOID-UHTWSYAYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-10-12(11(2)15)8-9-13(10)16(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m0/s1.
What are the key properties of 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone?
1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone has a molecular weight of 240.46 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]-2-methylcyclopentyl]ethanone is sourced from PubChem (CID 10354290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).