(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one

C17H34O3Si — CID 90961288

IUPAC(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H]1C[C@@H](CC(C)C)C(=O)O1
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-14(6)11-16-12-15(10-13(4)5)17(18)19-16/h13-16H,7-12H2,1-6H3/t14-,15-,16+/m1/s1
InChIKeyDLWZDFKKUHINPH-OAGGEKHMSA-N
MW314.54 g/mol
LogP4.76
Rot. Bonds9

About (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one

(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one (PubChem CID 90961288) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one
PubChem CID90961288
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H]1C[C@@H](CC(C)C)C(=O)O1
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-14(6)11-16-12-15(10-13(4)5)17(18)19-16/h13-16H,7-12H2,1-6H3/t14-,15-,16+/m1/s1
InChIKeyDLWZDFKKUHINPH-OAGGEKHMSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.76
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

(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11688270
ethyl (2R,4S,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylheptanoate
CID 154722516
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212
Methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341341
ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
CID 134839543
(1S,6S,9R,13R,14S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,11,15-trione
CID 134939081
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
CID 138970754
(1S,4S,7S,9S,12S,15S)-4,12-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,11-dioxatricyclo[13.1.0.07,9]hexadecane-2,10-dione
CID 138976733
tert-butyl (4S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptanoate
CID 166448258
Glycerol, mono-(14-methyleicosanoate), bis-TMS
CID 91747626
Glycerol, mono-(14-methylheptadecanoate), bis-TMS
CID 91747627
Glycerol, mono-(14-methylhexadecanoate), bis-TMS
CID 91747628

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one (CID 90961288) is (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one is CC[Si](CC)(CC)O[C@H](C)C[C@H]1C[C@@H](CC(C)C)C(=O)O1.
What is the InChIKey of (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one?
The InChIKey is DLWZDFKKUHINPH-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-14(6)11-16-12-15(10-13(4)5)17(18)19-16/h13-16H,7-12H2,1-6H3/t14-,15-,16+/m1/s1.
What are the key properties of (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one?
(3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one has a molecular weight of 314.54 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(2-methylpropyl)-5-[(2R)-2-triethylsilyloxypropyl]oxolan-2-one is sourced from PubChem (CID 90961288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).