(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one

C18H27NO2Si — CID 101181627

IUPAC(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@H]([C@@H](CC)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H27NO2Si/c1-6-15(17(7-2)22(3,4)5)19-16(13-21-18(19)20)14-11-9-8-10-12-14/h7-12,15-17H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1
InChIKeyZDUXZGYOFBAMFF-BRWVUGGUSA-N
MW317.50 g/mol
LogP4.85
Rot. Bonds6

About (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one

(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one (PubChem CID 101181627) has the molecular formula C18H27NO2Si and a molecular weight of 317.50 g/mol. Its IUPAC name is (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one
PubChem CID101181627
Molecular FormulaC18H27NO2Si
Molecular Weight317.50 g/mol
Exact Mass317.18
IUPAC Name(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@H]([C@@H](CC)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H27NO2Si/c1-6-15(17(7-2)22(3,4)5)19-16(13-21-18(19)20)14-11-9-8-10-12-14/h7-12,15-17H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1
InChIKeyZDUXZGYOFBAMFF-BRWVUGGUSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one (CID 101181627) is (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one is C=C[C@H]([C@@H](CC)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZDUXZGYOFBAMFF-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H27NO2Si/c1-6-15(17(7-2)22(3,4)5)19-16(13-21-18(19)20)14-11-9-8-10-12-14/h7-12,15-17H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 317.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101181627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).