1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone

C14H28O2Si — CID 10422566

IUPAC1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-11(15)13-9-7-8-12(13)10-16-17(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1
InChIKeyZLVMWNJRAQTCNL-STQMWFEESA-N
MW256.46 g/mol
LogP4.01
Rot. Bonds4

About 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone

1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone (PubChem CID 10422566) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
PubChem CID10422566
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-11(15)13-9-7-8-12(13)10-16-17(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1
InChIKeyZLVMWNJRAQTCNL-STQMWFEESA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
prop-2-enyl 3-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 15117336
1-[(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentyl]ethanone
CID 59619318
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
methyl 2-[(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 15347120
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone (CID 10422566) is 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone is CC(=O)[C@@H]1CCC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone?
The InChIKey is ZLVMWNJRAQTCNL-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(15)13-9-7-8-12(13)10-16-17(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone?
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone has a molecular weight of 256.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone is sourced from PubChem (CID 10422566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).