propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate

C12H25NO4Si — CID 139708147

IUPACpropan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(O[Si](C)(C)C)CC1CO
InChIInChI=1S/C12H25NO4Si/c1-9(2)16-12(15)13-7-11(6-10(13)8-14)17-18(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyHJNQOWJZBMDCDX-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.82
Rot. Bonds4

About propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate

propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 139708147) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID139708147
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Namepropan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(O[Si](C)(C)C)CC1CO
InChIInChI=1S/C12H25NO4Si/c1-9(2)16-12(15)13-7-11(6-10(13)8-14)17-18(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyHJNQOWJZBMDCDX-UHFFFAOYSA-N
XLogP1.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate (CID 139708147) is propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate is CC(C)OC(=O)N1CC(O[Si](C)(C)C)CC1CO.
What is the InChIKey of propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is HJNQOWJZBMDCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-9(2)16-12(15)13-7-11(6-10(13)8-14)17-18(3,4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate?
propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 275.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 139708147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).