[(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate

C30H59NO5Si — CID 46702991

About [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate

[(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate (PubChem CID 46702991) has the molecular formula C30H59NO5Si and a molecular weight of 541.89 g/mol. Its IUPAC name is [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate.

Molecular Properties

• Compound Name: [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate
• PubChem CID: 46702991
• Molecular Formula: C30H59NO5Si
• Molecular Weight: 541.89 g/mol
• Exact Mass: 541.42
• IUPAC Name: [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate
• SMILES: CCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H]1OC(=O)N[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C30H59NO5Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-28(35-26(8)32)29-27(31-30(33)36-29)22-34-37(23(2)3,24(4)5)25(6)7/h23-25,27-29H,9-22H2,1-8H3,(H,31,33)/t27-,28+,29+/m0/s1
• InChIKey: SUVYFTKTVFONPP-ZGIBFIJWSA-N
• XLogP: 8.68
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.89
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate?

The IUPAC name of [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate (CID 46702991) is [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate.

What is the SMILES notation for [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate?

The canonical SMILES for [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate is CCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H]1OC(=O)N[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate?

The InChIKey is SUVYFTKTVFONPP-ZGIBFIJWSA-N. The full InChI is InChI=1S/C30H59NO5Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-28(35-26(8)32)29-27(31-30(33)36-29)22-34-37(23(2)3,24(4)5)25(6)7/h23-25,27-29H,9-22H2,1-8H3,(H,31,33)/t27-,28+,29+/m0/s1.

What are the key properties of [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate?

[(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate has a molecular weight of 541.89 g/mol, XLogP of 8.68, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(4S,5R)-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-5-yl]pentadecyl] acetate is sourced from PubChem (CID 46702991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).