(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one

C22H28O3Si — CID 10926716

IUPAC(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
SMILESC[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C22H28O3Si/c1-17-15-18(25-21(17)23)16-24-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t17-,18+/m0/s1
InChIKeyXBHGPYCZPIKCFG-ZWKOTPCHSA-N
MW368.55 g/mol
LogP3.51
Rot. Bonds5

About (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one (PubChem CID 10926716) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
PubChem CID10926716
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
SMILESC[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C22H28O3Si/c1-17-15-18(25-21(17)23)16-24-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t17-,18+/m0/s1
InChIKeyXBHGPYCZPIKCFG-ZWKOTPCHSA-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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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
Ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
CID 11244867
cis-ethyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 101113638
ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
CID 101269308
trans-ethyl (1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 134934274
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanyloxolan-2-one
CID 134937918
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(2S,4R)-5-((tert-Butyldiphenylsilyl)oxy)-2,4-dimethylpentyl acetate
CID 74982234
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one?
The IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one (CID 10926716) is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one?
The canonical SMILES for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one is C[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one?
The InChIKey is XBHGPYCZPIKCFG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-17-15-18(25-21(17)23)16-24-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one?
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-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 (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 10926716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).