trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate

C12H26O4Si2 — CID 523312

IUPACtrimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate
SMILESC[Si](C)(C)OCC1CC(C(=O)O[Si](C)(C)C)CO1
InChIInChI=1S/C12H26O4Si2/c1-17(2,3)15-9-11-7-10(8-14-11)12(13)16-18(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyIEVXRVGHUBGOBQ-UHFFFAOYSA-N
MW290.51 g/mol
LogP2.62
Rot. Bonds5

About trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate

trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate (PubChem CID 523312) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate
PubChem CID523312
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Nametrimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate
SMILESC[Si](C)(C)OCC1CC(C(=O)O[Si](C)(C)C)CO1
InChIInChI=1S/C12H26O4Si2/c1-17(2,3)15-9-11-7-10(8-14-11)12(13)16-18(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyIEVXRVGHUBGOBQ-UHFFFAOYSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 52.62
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

4-Trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523334
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Isocitric lactone acid, bis(trimethylsilyl) ester
CID 553088
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
(3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 67190955
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyloxolan-2-one
CID 101860135
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 134849102
Ethyl 5-(butanoyloxymethyl)-2-oxooxolane-3-carboxylate
CID 162397066

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate?
The IUPAC name of trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate (CID 523312) is trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate.
What is the SMILES notation for trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate?
The canonical SMILES for trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate is C[Si](C)(C)OCC1CC(C(=O)O[Si](C)(C)C)CO1.
What is the InChIKey of trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate?
The InChIKey is IEVXRVGHUBGOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-17(2,3)15-9-11-7-10(8-14-11)12(13)16-18(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate?
trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate has a molecular weight of 290.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-(trimethylsilyloxymethyl)oxolane-3-carboxylate is sourced from PubChem (CID 523312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).