1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone

C15H30O2Si — CID 59619318

IUPAC1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=O
InChIInChI=1S/C15H30O2Si/c1-8-12-9-13(10-14(12)11(2)16)17-18(6,7)15(3,4)5/h12-14H,8-10H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeySKILQFKESRADFJ-MCIONIFRSA-N
MW270.49 g/mol
LogP4.40
Rot. Bonds4

About 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone

1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone (PubChem CID 59619318) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
PubChem CID59619318
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=O
InChIInChI=1S/C15H30O2Si/c1-8-12-9-13(10-14(12)11(2)16)17-18(6,7)15(3,4)5/h12-14H,8-10H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeySKILQFKESRADFJ-MCIONIFRSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone (CID 59619318) is 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone is CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C)=O.
What is the InChIKey of 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone?
The InChIKey is SKILQFKESRADFJ-MCIONIFRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-12-9-13(10-14(12)11(2)16)17-18(6,7)15(3,4)5/h12-14H,8-10H2,1-7H3/t12-,13-,14+/m1/s1.
What are the key properties of 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone?
1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone has a molecular weight of 270.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone is sourced from PubChem (CID 59619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).