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

C13H26O3Si — CID 58853132

IUPAC[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1
InChIKeyPWIPAKQNSKCDFB-RYUDHWBXSA-N
MW258.43 g/mol
LogP3.49
Rot. Bonds3

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

[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate (PubChem CID 58853132) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
PubChem CID58853132
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1
InChIKeyPWIPAKQNSKCDFB-RYUDHWBXSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 46236584
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
Tert-butyl-(3-methoxycyclopentyl)oxy-dimethylsilane
CID 22636957
(lR,3S)-(+)-3-tert-butyldimethylsilyloxycyclopentanyl acetate
CID 54211622
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211623
[3-[Tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211624
tert-butyl-[(1S,3R)-3-methoxycyclopentyl]oxy-dimethylsilane
CID 58501699
tert-butyl-[(3R)-3-methoxycyclopentyl]oxy-dimethylsilane
CID 58516297
4-[Tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate
CID 75181679
3-[Tert-butyl(dimethyl)silyl]oxyhexyl acetate
CID 90296295
[3-[[1-[Tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate
CID 162446416
[3-[(1-Hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate
CID 162446424

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate?
The IUPAC name of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate (CID 58853132) is [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate.
What is the SMILES notation for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate?
The canonical SMILES for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate is CC(=O)O[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate?
The InChIKey is PWIPAKQNSKCDFB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(14)15-11-7-8-12(9-11)16-17(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate?
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate has a molecular weight of 258.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate is sourced from PubChem (CID 58853132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).