(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one

C16H34O4Si2 — CID 15662803

IUPAC(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-12-11-18-14(17)13(12)20-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13+/m0/s1
InChIKeyQLMNWNMVWITKGL-QWHCGFSZSA-N
MW346.62 g/mol
LogP4.32
Rot. Bonds4

About (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one

(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one (PubChem CID 15662803) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
PubChem CID15662803
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Name(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-12-11-18-14(17)13(12)20-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13+/m0/s1
InChIKeyQLMNWNMVWITKGL-QWHCGFSZSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Threono-1,4-lactone, bis-TMS
CID 523398
(3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 6427168
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
Bis(trimethylsilyl)-3-deoxy-2-C-(hydroxymethyl)-tetrono-1,4-lactone
CID 523355
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028
3-(tert-butyldimethylsilyloxy)dihydrofuran-2(3H)-one
CID 5046241

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The IUPAC name of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one (CID 15662803) is (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one.
What is the SMILES notation for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The canonical SMILES for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The InChIKey is QLMNWNMVWITKGL-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-12-11-18-14(17)13(12)20-22(9,10)16(4,5)6/h12-13H,11H2,1-10H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one has a molecular weight of 346.62 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one is sourced from PubChem (CID 15662803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).