(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one

C17H36O5Si2 — CID 91749280

IUPAC(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCC(C)(C)O[C@@]1(CCO[Si](C)(C)C)C[C@@H](CO[Si](C)(C)C)OC1=O
InChIInChI=1S/C17H36O5Si2/c1-16(2,3)22-17(10-11-19-23(4,5)6)12-14(21-15(17)18)13-20-24(7,8)9/h14H,10-13H2,1-9H3/t14-,17-/m0/s1
InChIKeyVXRFBXFUZNGKOI-YOEHRIQHSA-N
MW376.64 g/mol
LogP3.95
Rot. Bonds8

About (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one

(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one (PubChem CID 91749280) has the molecular formula C17H36O5Si2 and a molecular weight of 376.64 g/mol. Its IUPAC name is (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one
PubChem CID91749280
Molecular FormulaC17H36O5Si2
Molecular Weight376.64 g/mol
Exact Mass376.21
IUPAC Name(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one
SMILESCC(C)(C)O[C@@]1(CCO[Si](C)(C)C)C[C@@H](CO[Si](C)(C)C)OC1=O
InChIInChI=1S/C17H36O5Si2/c1-16(2,3)22-17(10-11-19-23(4,5)6)12-14(21-15(17)18)13-20-24(7,8)9/h14H,10-13H2,1-9H3/t14-,17-/m0/s1
InChIKeyVXRFBXFUZNGKOI-YOEHRIQHSA-N
XLogP3.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 53.95
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

2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
2-C-Methylarabinonic acid, 1,4-lactone, TMS
CID 6427152
3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS
CID 91749281
3-Deoxy-2-C-hydroxymethyl-erythro-pentonic acid, 1,4-lactone, TMS
CID 91750653
D-Ribonic acid, 2-C-methyl-2,3,5-tris-O-(trimethylsilyl)-, lactone
CID 523322
D-threo-Pentonic acid, 3-deoxy-2,5-bis-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, lactone
CID 523353
(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one
CID 58444201
(3R,4S,5S,6R)-4-methyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 71217709
(4S,6R)-4-methyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 160043225
(3R,4S,5R)-3-methyl-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 6427154

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one (CID 91749280) is (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one is CC(C)(C)O[C@@]1(CCO[Si](C)(C)C)C[C@@H](CO[Si](C)(C)C)OC1=O.
What is the InChIKey of (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one?
The InChIKey is VXRFBXFUZNGKOI-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H36O5Si2/c1-16(2,3)22-17(10-11-19-23(4,5)6)12-14(21-15(17)18)13-20-24(7,8)9/h14H,10-13H2,1-9H3/t14-,17-/m0/s1.
What are the key properties of (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one?
(3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one has a molecular weight of 376.64 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-[(2-methylpropan-2-yl)oxy]-3-(2-trimethylsilyloxyethyl)-5-(trimethylsilyloxymethyl)oxolan-2-one is sourced from PubChem (CID 91749280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).