(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

C16H29NO3Si — CID 53341817

IUPAC(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@H]1[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO3Si/c1-8-10-14(20-21(6,7)16(3,4)5)13-12-19-15(18)17(13)11-9-2/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8+/t13-,14-/m0/s1
InChIKeyQKQOADIAOFPJSJ-DBSLZISTSA-N
MW311.50 g/mol
LogP3.96
Rot. Bonds6

About (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 53341817) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID53341817
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Name(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@H]1[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO3Si/c1-8-10-14(20-21(6,7)16(3,4)5)13-12-19-15(18)17(13)11-9-2/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8+/t13-,14-/m0/s1
InChIKeyQKQOADIAOFPJSJ-DBSLZISTSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 53341817) is (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OC[C@H]1[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is QKQOADIAOFPJSJ-DBSLZISTSA-N. The full InChI is InChI=1S/C16H29NO3Si/c1-8-10-14(20-21(6,7)16(3,4)5)13-12-19-15(18)17(13)11-9-2/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8+/t13-,14-/m0/s1.
What are the key properties of (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 311.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 53341817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).