propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate

C22H43NO4Si — CID 23577213

IUPACpropan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
SMILESCC(C)OC(=O)CCCCCCN1C(=O)CCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO4Si/c1-18(2)27-21(25)15-10-8-9-11-16-23-19(13-12-14-20(23)24)17-26-28(6,7)22(3,4)5/h18-19H,8-17H2,1-7H3
InChIKeyZEKQGYCHRLESFP-UHFFFAOYSA-N
MW413.68 g/mol
LogP5.29
Rot. Bonds11

About propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate

propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate (PubChem CID 23577213) has the molecular formula C22H43NO4Si and a molecular weight of 413.68 g/mol. Its IUPAC name is propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate.

Molecular Properties

Compound Namepropan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
PubChem CID23577213
Molecular FormulaC22H43NO4Si
Molecular Weight413.68 g/mol
Exact Mass413.30
IUPAC Namepropan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
SMILESCC(C)OC(=O)CCCCCCN1C(=O)CCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO4Si/c1-18(2)27-21(25)15-10-8-9-11-16-23-19(13-12-14-20(23)24)17-26-28(6,7)22(3,4)5/h18-19H,8-17H2,1-7H3
InChIKeyZEKQGYCHRLESFP-UHFFFAOYSA-N
XLogP5.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.68
LogP ≤ 55.29
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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Related Compounds

propan-2-yl 7-[(2R)-2-formyl-6-oxopiperidin-1-yl]heptanoate;propan-2-yl 7-[(2R)-2-(hydroxymethyl)-6-oxopiperidin-1-yl]heptanoate
CID 159525120
propan-2-yl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbutyl]-6-oxopiperidin-1-yl]heptanoate
CID 67359668
2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
CID 86594639
propan-2-yl 7-[(2S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 146027477
S-[2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
CID 56834438
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
propan-2-yl 7-[2-(3-hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]heptanoate
CID 69020918
propan-2-yl 7-[(2R)-2-[(3S)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 123862098
propan-2-yl 7-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 69020912
7-[(2R)-2-(3-hydroxy-7-sulfanyloctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804803
tert-butyl 7-(2-formyl-5-oxopyrrolidin-1-yl)heptanoate
CID 13025450

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate?
The IUPAC name of propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate (CID 23577213) is propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate.
What is the SMILES notation for propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate?
The canonical SMILES for propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate is CC(C)OC(=O)CCCCCCN1C(=O)CCCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate?
The InChIKey is ZEKQGYCHRLESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4Si/c1-18(2)27-21(25)15-10-8-9-11-16-23-19(13-12-14-20(23)24)17-26-28(6,7)22(3,4)5/h18-19H,8-17H2,1-7H3.
What are the key properties of propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate?
propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate has a molecular weight of 413.68 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate is sourced from PubChem (CID 23577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).