4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one

C25H51NO4Si — CID 85387941

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H51NO4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)23-21(26-24(28)30-23)20-29-31(5,6)25(2,3)4/h21-23,27H,7-20H2,1-6H3,(H,26,28)
InChIKeyMPTLUZXCBBREFB-UHFFFAOYSA-N
MW457.77 g/mol
LogP6.94
Rot. Bonds17

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one (PubChem CID 85387941) has the molecular formula C25H51NO4Si and a molecular weight of 457.77 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one
PubChem CID85387941
Molecular FormulaC25H51NO4Si
Molecular Weight457.77 g/mol
Exact Mass457.36
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H51NO4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)23-21(26-24(28)30-23)20-29-31(5,6)25(2,3)4/h21-23,27H,7-20H2,1-6H3,(H,26,28)
InChIKeyMPTLUZXCBBREFB-UHFFFAOYSA-N
XLogP6.94
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 56.94
H-Bond Donors ≤ 52
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one (CID 85387941) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC(O)C1OC(=O)NC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one?
The InChIKey is MPTLUZXCBBREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)23-21(26-24(28)30-23)20-29-31(5,6)25(2,3)4/h21-23,27H,7-20H2,1-6H3,(H,26,28).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one has a molecular weight of 457.77 g/mol, XLogP of 6.94, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 85387941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).