(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol

C12H27NO2Si — CID 139923594

IUPAC(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCN1CC[C@@H](O)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-9-8-13-7-6-11(14)10-13/h11,14H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyPVJLDSJTWHNCJM-LLVKDONJSA-N
MW245.44 g/mol
LogP2.07
Rot. Bonds4

About (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol

(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol (PubChem CID 139923594) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol
PubChem CID139923594
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCN1CC[C@@H](O)C1
InChIInChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-9-8-13-7-6-11(14)10-13/h11,14H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyPVJLDSJTWHNCJM-LLVKDONJSA-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 (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol (CID 139923594) is (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol is CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol?
The InChIKey is PVJLDSJTWHNCJM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-12(2,3)16(4,5)15-9-8-13-7-6-11(14)10-13/h11,14H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol?
(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol 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 (3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-ol is sourced from PubChem (CID 139923594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).