(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one

C17H34O3Si — CID 91803244

IUPAC(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C17H34O3Si/c1-12(2)9-14-11-15(19-16(14)18)10-13(3)20-21(7,8)17(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15+/m1/s1
InChIKeyJKTQIHLXTDXYEH-KFWWJZLASA-N
MW314.54 g/mol
LogP4.76
Rot. Bonds6

About (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one

(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one (PubChem CID 91803244) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one
PubChem CID91803244
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C17H34O3Si/c1-12(2)9-14-11-15(19-16(14)18)10-13(3)20-21(7,8)17(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15+/m1/s1
InChIKeyJKTQIHLXTDXYEH-KFWWJZLASA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one (CID 91803244) is (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one is CC(C)C[C@@H]1C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is JKTQIHLXTDXYEH-KFWWJZLASA-N. The full InChI is InChI=1S/C17H34O3Si/c1-12(2)9-14-11-15(19-16(14)18)10-13(3)20-21(7,8)17(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15+/m1/s1.
What are the key properties of (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one?
(3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 314.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 91803244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).