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

C12H26O2Si — CID 25149731

IUPAC[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CO)C1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyZBQCSVFQSADIPS-QWRGUYRKSA-N
MW230.42 g/mol
LogP3.17
Rot. Bonds3

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

[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol (PubChem CID 25149731) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
PubChem CID25149731
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CO)C1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyZBQCSVFQSADIPS-QWRGUYRKSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
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 [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol?
The IUPAC name of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol (CID 25149731) is [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CO)C1.
What is the InChIKey of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol?
The InChIKey is ZBQCSVFQSADIPS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol?
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol has a molecular weight of 230.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol is sourced from PubChem (CID 25149731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).