propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate

C21H41NO5Si — CID 77265685

IUPACpropan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate
SMILESCC(C)OC(=O)CCCCCCN1C(=O)OCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-17(2)27-19(23)12-10-8-9-11-14-22-18(13-15-25-20(22)24)16-26-28(6,7)21(3,4)5/h17-18H,8-16H2,1-7H3
InChIKeyMGTYIWXGICXZKY-UHFFFAOYSA-N
MW415.65 g/mol
LogP5.12
Rot. Bonds11

About propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate

propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate (PubChem CID 77265685) has the molecular formula C21H41NO5Si and a molecular weight of 415.65 g/mol. Its IUPAC name is propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate.

Molecular Properties

Compound Namepropan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate
PubChem CID77265685
Molecular FormulaC21H41NO5Si
Molecular Weight415.65 g/mol
Exact Mass415.28
IUPAC Namepropan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate
SMILESCC(C)OC(=O)CCCCCCN1C(=O)OCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-17(2)27-19(23)12-10-8-9-11-14-22-18(13-15-25-20(22)24)16-26-28(6,7)21(3,4)5/h17-18H,8-16H2,1-7H3
InChIKeyMGTYIWXGICXZKY-UHFFFAOYSA-N
XLogP5.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate
CID 71503739
Pipecolic acid, N-isoBOC TBDMS
CID 6429999
tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
CID 10959261
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
Propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
CID 23577213
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 53360841
propan-2-yl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]pentanoate
CID 58635298
propan-2-yl 7-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
CID 58635305
isopropyl 7-[(4R)-4-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxo-1,3-oxazinan-3-yl]heptanoate
CID 67318482
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 67885252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate?
The IUPAC name of propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate (CID 77265685) is propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate.
What is the SMILES notation for propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate?
The canonical SMILES for propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate is CC(C)OC(=O)CCCCCCN1C(=O)OCCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate?
The InChIKey is MGTYIWXGICXZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO5Si/c1-17(2)27-19(23)12-10-8-9-11-14-22-18(13-15-25-20(22)24)16-26-28(6,7)21(3,4)5/h17-18H,8-16H2,1-7H3.
What are the key properties of propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate?
propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate has a molecular weight of 415.65 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate is sourced from PubChem (CID 77265685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).