(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one

C22H28O3Si — CID 11036001

IUPAC(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-17-15-21(23)25-20(17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m0/s1
InChIKeyIPFNDQXHBBRQSL-FXAWDEMLSA-N
MW368.55 g/mol
LogP3.51
Rot. Bonds5

About (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one (PubChem CID 11036001) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
PubChem CID11036001
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-17-15-21(23)25-20(17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m0/s1
InChIKeyIPFNDQXHBBRQSL-FXAWDEMLSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one (CID 11036001) is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one is C[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The InChIKey is IPFNDQXHBBRQSL-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-17-15-21(23)25-20(17)16-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one?
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one has a molecular weight of 368.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 11036001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).