3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one

C15H34O5Si3 — CID 523322

IUPAC3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCC1(O[Si](C)(C)C)C(=O)OC(CO[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10)13(19-22(5,6)7)12(18-14(15)16)11-17-21(2,3)4/h12-13H,11H2,1-10H3
InChIKeyKOEYIGNFJQAGJP-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.59
Rot. Bonds7

About 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one

3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one (PubChem CID 523322) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
PubChem CID523322
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Name3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCC1(O[Si](C)(C)C)C(=O)OC(CO[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10)13(19-22(5,6)7)12(18-14(15)16)11-17-21(2,3)4/h12-13H,11H2,1-10H3
InChIKeyKOEYIGNFJQAGJP-UHFFFAOYSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 169299268
trimethyl-[[(2R,3R,4S)-3,4,5-tris(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]methoxy]silane
CID 53384594
trimethyl-[[(2S,3R,4S,5R)-2,3,4-tris(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]methoxy]silane
CID 6431219
(3S,4R,5R)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chlorooxolan-2-one
CID 140775730
[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate
CID 169299289
trimethyl-[(2R,3R,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 91750468
3-methyl-3,4-bis(3-methylbut-2-enoxy)-5-(3-methylbut-2-enoxymethyl)oxolan-2-one
CID 76787670
5,5-diethyl-2-trimethylsilyloxy-1,3-dioxane-4,6-dione
CID 54403876
(5S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-prop-1-en-2-yl-9-trimethylsilyloxy-2-oxaspiro[4.5]decane-1,6-dione
CID 177495281
[(2R,3R,4R)-3,4-dibenzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate
CID 14727490
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
1-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6427735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The IUPAC name of 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one (CID 523322) is 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one.
What is the SMILES notation for 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The canonical SMILES for 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one is CC1(O[Si](C)(C)C)C(=O)OC(CO[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The InChIKey is KOEYIGNFJQAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-15(20-23(8,9)10)13(19-22(5,6)7)12(18-14(15)16)11-17-21(2,3)4/h12-13H,11H2,1-10H3.
What are the key properties of 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one?
3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one has a molecular weight of 378.69 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one is sourced from PubChem (CID 523322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).