(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one

C32H39NO4Si — CID 12000630

IUPAC(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39NO4Si/c1-32(2,3)38(28-18-10-5-11-19-28,29-20-12-6-13-21-29)37-23-15-7-14-22-30(34)33-27(25-36-31(33)35)24-26-16-8-4-9-17-26/h4-6,8-13,16-21,27H,7,14-15,22-25H2,1-3H3/t27-/m0/s1
InChIKeyDGEUXQSZFDOULL-MHZLTWQESA-N
MW529.75 g/mol
LogP5.71
Rot. Bonds11

About (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 12000630) has the molecular formula C32H39NO4Si and a molecular weight of 529.75 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one
PubChem CID12000630
Molecular FormulaC32H39NO4Si
Molecular Weight529.75 g/mol
Exact Mass529.26
IUPAC Name(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39NO4Si/c1-32(2,3)38(28-18-10-5-11-19-28,29-20-12-6-13-21-29)37-23-15-7-14-22-30(34)33-27(25-36-31(33)35)24-26-16-8-4-9-17-26/h4-6,8-13,16-21,27H,7,14-15,22-25H2,1-3H3/t27-/m0/s1
InChIKeyDGEUXQSZFDOULL-MHZLTWQESA-N
XLogP5.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.75
LogP ≤ 55.71
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 (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one (CID 12000630) is (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](OCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DGEUXQSZFDOULL-MHZLTWQESA-N. The full InChI is InChI=1S/C32H39NO4Si/c1-32(2,3)38(28-18-10-5-11-19-28,29-20-12-6-13-21-29)37-23-15-7-14-22-30(34)33-27(25-36-31(33)35)24-26-16-8-4-9-17-26/h4-6,8-13,16-21,27H,7,14-15,22-25H2,1-3H3/t27-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 529.75 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[6-[tert-butyl(diphenyl)silyl]oxyhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12000630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).