propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate

C20H39NO4Si — CID 58635298

IUPACpropan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate
SMILESCC(C)OC(=O)CCCCN1C(=O)CCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-16(2)25-19(23)13-8-9-14-21-17(11-10-12-18(21)22)15-24-26(6,7)20(3,4)5/h16-17H,8-15H2,1-7H3/t17-/m1/s1
InChIKeyLWXBPIUYTHIPPW-QGZVFWFLSA-N
MW385.62 g/mol
LogP4.51
Rot. Bonds9

About propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate

propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate (PubChem CID 58635298) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate
PubChem CID58635298
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Namepropan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate
SMILESCC(C)OC(=O)CCCCN1C(=O)CCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-16(2)25-19(23)13-8-9-14-21-17(11-10-12-18(21)22)15-24-26(6,7)20(3,4)5/h16-17H,8-15H2,1-7H3/t17-/m1/s1
InChIKeyLWXBPIUYTHIPPW-QGZVFWFLSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate?
The IUPAC name of propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate (CID 58635298) is propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate.
What is the SMILES notation for propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate?
The canonical SMILES for propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate is CC(C)OC(=O)CCCCN1C(=O)CCC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate?
The InChIKey is LWXBPIUYTHIPPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-16(2)25-19(23)13-8-9-14-21-17(11-10-12-18(21)22)15-24-26(6,7)20(3,4)5/h16-17H,8-15H2,1-7H3/t17-/m1/s1.
What are the key properties of propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate?
propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate has a molecular weight of 385.62 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate is sourced from PubChem (CID 58635298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).