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

C27H30O3Si — CID 11553759

IUPAC(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3Si/c1-27(2,3)31(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(19-26(28)30-25)21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25-/m1/s1
InChIKeyVYZCCVDIDDUWNH-JWQCQUIFSA-N
MW430.62 g/mol
LogP4.66
Rot. Bonds6

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

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one (PubChem CID 11553759) has the molecular formula C27H30O3Si and a molecular weight of 430.62 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one
PubChem CID11553759
Molecular FormulaC27H30O3Si
Molecular Weight430.62 g/mol
Exact Mass430.20
IUPAC Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3Si/c1-27(2,3)31(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(19-26(28)30-25)21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25-/m1/s1
InChIKeyVYZCCVDIDDUWNH-JWQCQUIFSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,3,3-triphenylpropanoate
CID 263132
Methyl 3-[dimethyl(phenyl)silyl]-2,3-diphenylpropanoate
CID 10362075
(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one
CID 10785516
(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
CID 10918143
3-Benzyl-6-phenyl-3-trimethylsilyl-1,4-dioxaspiro[4.5]decan-2-one
CID 12013360
3,3-Diphenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 12791585
Ethyl 2-[methyl(diphenyl)silyl]-2-phenylacetate
CID 13978515
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
CID 14215132
(4S,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 14215134
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one
CID 15237838
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one
CID 15748771
ethyl 3-[(3R,5S)-5-methyl-2,2,5-triphenyloxasilolan-3-yl]propanoate
CID 100955837

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one (CID 11553759) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one is CC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one?
The InChIKey is VYZCCVDIDDUWNH-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H30O3Si/c1-27(2,3)31(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(19-26(28)30-25)21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one?
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one has a molecular weight of 430.62 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyloxolan-2-one is sourced from PubChem (CID 11553759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).