(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one

C15H27ClO3Si — CID 10543622

IUPAC(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1[C@H](CCCl)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27ClO3Si/c1-7-11-12(8-9-16)14(17)19-13(11)10-18-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3/t11-,12+,13-/m1/s1
InChIKeyOPUYOFMHSZZUDK-FRRDWIJNSA-N
MW318.92 g/mol
LogP3.98
Rot. Bonds6

About (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one

(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one (PubChem CID 10543622) has the molecular formula C15H27ClO3Si and a molecular weight of 318.92 g/mol. Its IUPAC name is (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
PubChem CID10543622
Molecular FormulaC15H27ClO3Si
Molecular Weight318.92 g/mol
Exact Mass318.14
IUPAC Name(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
SMILESC=C[C@@H]1[C@H](CCCl)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27ClO3Si/c1-7-11-12(8-9-16)14(17)19-13(11)10-18-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3/t11-,12+,13-/m1/s1
InChIKeyOPUYOFMHSZZUDK-FRRDWIJNSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one?
The IUPAC name of (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one (CID 10543622) is (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one?
The canonical SMILES for (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one is C=C[C@@H]1[C@H](CCCl)C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one?
The InChIKey is OPUYOFMHSZZUDK-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H27ClO3Si/c1-7-11-12(8-9-16)14(17)19-13(11)10-18-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3/t11-,12+,13-/m1/s1.
What are the key properties of (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one?
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one has a molecular weight of 318.92 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one is sourced from PubChem (CID 10543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).