1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone

C13H26O2Si — CID 174082315

IUPAC1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-10(14)11-7-8-12(9-11)15-16(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1
InChIKeyHNXXOZYJBPKFMD-RYUDHWBXSA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds3

About 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone

1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone (PubChem CID 174082315) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone
PubChem CID174082315
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone
SMILESCC(=O)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O2Si/c1-10(14)11-7-8-12(9-11)15-16(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1
InChIKeyHNXXOZYJBPKFMD-RYUDHWBXSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone?
The IUPAC name of 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone (CID 174082315) is 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone is CC(=O)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone?
The InChIKey is HNXXOZYJBPKFMD-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(14)11-7-8-12(9-11)15-16(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone?
1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone has a molecular weight of 242.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone is sourced from PubChem (CID 174082315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).