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

C17H34O3Si — CID 148765468

IUPAC(2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one
SMILESCCCC[C@H]1CC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O3Si/c1-7-8-10-14-13-15(18)16(20-14)11-9-12-19-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyOHJJEBJKWUQFMV-HOCLYGCPSA-N
MW314.54 g/mol
LogP4.71
Rot. Bonds8

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

(2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one (PubChem CID 148765468) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one.

Molecular Properties

Compound Name(2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one
PubChem CID148765468
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one
SMILESCCCC[C@H]1CC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O3Si/c1-7-8-10-14-13-15(18)16(20-14)11-9-12-19-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyOHJJEBJKWUQFMV-HOCLYGCPSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one?
The IUPAC name of (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one (CID 148765468) is (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one.
What is the SMILES notation for (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one?
The canonical SMILES for (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one is CCCC[C@H]1CC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one?
The InChIKey is OHJJEBJKWUQFMV-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-8-10-14-13-15(18)16(20-14)11-9-12-19-21(5,6)17(2,3)4/h14,16H,7-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one?
(2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one has a molecular weight of 314.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-butyl-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-one is sourced from PubChem (CID 148765468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).