2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol

C12H27NO2Si — CID 77497871

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCO)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-11-6-7-13(10-11)8-9-14/h11,14H,6-10H2,1-5H3
InChIKeyAHQIDQIEMHSIEK-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.07
Rot. Bonds4

About 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol

2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol (PubChem CID 77497871) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol
PubChem CID77497871
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCO)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-11-6-7-13(10-11)8-9-14/h11,14H,6-10H2,1-5H3
InChIKeyAHQIDQIEMHSIEK-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol (CID 77497871) is 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol is CC(C)(C)[Si](C)(C)OC1CCN(CCO)C1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol?
The InChIKey is AHQIDQIEMHSIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-11-6-7-13(10-11)8-9-14/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol?
2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol has a molecular weight of 245.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]ethanol is sourced from PubChem (CID 77497871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).