(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one

C15H30O3Si — CID 146021279

IUPAC(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
SMILESCCCC[C@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-8-9-12-10-14(16)18-13(12)11-17-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyUIIYGWVRIDUFHR-QWHCGFSZSA-N
MW286.49 g/mol
LogP4.13
Rot. Bonds6

About (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one

(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 146021279) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
PubChem CID146021279
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
SMILESCCCC[C@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-7-8-9-12-10-14(16)18-13(12)11-17-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyUIIYGWVRIDUFHR-QWHCGFSZSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.13
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

2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
CID 146018118
(1S,4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-3-oxabicyclo[3.2.0]heptan-2-one
CID 53376402
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]acetate
CID 10708379
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
CID 11777941
(1S,4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
CID 57379408
(3S,5R)-5-propyl-3-(trimethylsilylmethyl)oxolan-2-one
CID 101185880
(1R,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxabicyclo[3.2.0]heptan-2-one
CID 101390778
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]oxolan-2-one
CID 58570960
3-[1-[Diethoxy(methyl)silyl]butyl]oxolane-2,5-dione
CID 87645636

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one (CID 146021279) is (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one is CCCC[C@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is UIIYGWVRIDUFHR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-8-9-12-10-14(16)18-13(12)11-17-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 286.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 146021279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).