(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one

C13H26O3Si — CID 11118754

IUPAC(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C13H26O3Si/c1-9-8-11(14)15-12(9)10(2)16-17(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-,12+/m0/s1
InChIKeyMCROTIPDVDZMIM-JBLDHEPKSA-N
MW258.43 g/mol
LogP3.35
Rot. Bonds3

About (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one

(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one (PubChem CID 11118754) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
PubChem CID11118754
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C13H26O3Si/c1-9-8-11(14)15-12(9)10(2)16-17(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-,12+/m0/s1
InChIKeyMCROTIPDVDZMIM-JBLDHEPKSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.35
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
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
CID 10400493
5-[1-[Tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
CID 54542353
(1S,3S,4S)-ethyl 3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentanecarboxylate
CID 86626207
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(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
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3,4-trimethyloxolan-2-one
CID 146018119
(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 146021279
6-Bromo-5-tert-butyldimethylsilyloxy-2,3,6-trideoxy-D-erythro-hexono-1,4-lactone
CID 91750941
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
Methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 85256432

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one?
The IUPAC name of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one (CID 11118754) is (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one?
The InChIKey is MCROTIPDVDZMIM-JBLDHEPKSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-8-11(14)15-12(9)10(2)16-17(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-,12+/m0/s1.
What are the key properties of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one?
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one has a molecular weight of 258.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 11118754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).