(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H35NO4Si — CID 10623575

IUPAC(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-20(2)23-19-30-25(29)27(23)24(28)17-12-18-31-32(26(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,12,17-19H2,1-5H3/t23-/m1/s1
InChIKeyBMMVDAYKRMNFIY-HSZRJFAPSA-N
MW453.66 g/mol
LogP4.35
Rot. Bonds8

About (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10623575) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10623575
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Name(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-20(2)23-19-30-25(29)27(23)24(28)17-12-18-31-32(26(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,12,17-19H2,1-5H3/t23-/m1/s1
InChIKeyBMMVDAYKRMNFIY-HSZRJFAPSA-N
XLogP4.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.35
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)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10623575) is (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BMMVDAYKRMNFIY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-20(2)23-19-30-25(29)27(23)24(28)17-12-18-31-32(26(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,12,17-19H2,1-5H3/t23-/m1/s1.
What are the key properties of (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 453.66 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).