(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one

C26H35NO4Si — CID 71129118

IUPAC(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(CC(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1)[Si](C)(C)O
InChIInChI=1S/C26H35NO4Si/c1-26(2,32(3,4)30)18-22(20-12-7-5-8-13-20)16-11-17-24(28)27-23(19-31-25(27)29)21-14-9-6-10-15-21/h5-10,12-15,22-23,30H,11,16-19H2,1-4H3/t22?,23-/m1/s1
InChIKeyLRUDLAWWLLCYAG-OZAIVSQSSA-N
MW453.66 g/mol
LogP6.03
Rot. Bonds9

About (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71129118) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71129118
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Name(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(CC(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1)[Si](C)(C)O
InChIInChI=1S/C26H35NO4Si/c1-26(2,32(3,4)30)18-22(20-12-7-5-8-13-20)16-11-17-24(28)27-23(19-31-25(27)29)21-14-9-6-10-15-21/h5-10,12-15,22-23,30H,11,16-19H2,1-4H3/t22?,23-/m1/s1
InChIKeyLRUDLAWWLLCYAG-OZAIVSQSSA-N
XLogP6.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 71129118) is (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(CC(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1)[Si](C)(C)O.
What is the InChIKey of (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LRUDLAWWLLCYAG-OZAIVSQSSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-26(2,32(3,4)30)18-22(20-12-7-5-8-13-20)16-11-17-24(28)27-23(19-31-25(27)29)21-14-9-6-10-15-21/h5-10,12-15,22-23,30H,11,16-19H2,1-4H3/t22?,23-/m1/s1.
What are the key properties of (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 453.66 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[7-[hydroxy(dimethyl)silyl]-7-methyl-5-phenyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71129118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).