[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

C13H29NO2Si — CID 11747324

IUPAC[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCN(O)C1)(C(C)C)C(C)C
InChIInChI=1S/C13H29NO2Si/c1-10(2)17(11(3)4,12(5)6)16-13-7-8-14(15)9-13/h10-13,15H,7-9H2,1-6H3/t13-/m0/s1
InChIKeySHLKKMVIDYYROK-ZDUSSCGKSA-N
MW259.47 g/mol
LogP3.64
Rot. Bonds5

About [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11747324) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11747324
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCN(O)C1)(C(C)C)C(C)C
InChIInChI=1S/C13H29NO2Si/c1-10(2)17(11(3)4,12(5)6)16-13-7-8-14(15)9-13/h10-13,15H,7-9H2,1-6H3/t13-/m0/s1
InChIKeySHLKKMVIDYYROK-ZDUSSCGKSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.64
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 [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (CID 11747324) is [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H]1CCN(O)C1)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SHLKKMVIDYYROK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-10(2)17(11(3)4,12(5)6)16-13-7-8-14(15)9-13/h10-13,15H,7-9H2,1-6H3/t13-/m0/s1.
What are the key properties of [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 259.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11747324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).