(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one

C13H26O3Si — CID 146018118

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
SMILESCC1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C13H26O3Si/c1-9-10(2)12(14)16-11(9)8-15-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10?,11+/m0/s1
InChIKeyMKZONUUKOKANRS-KHUXNXPUSA-N
MW258.43 g/mol
LogP3.21
Rot. Bonds3

About (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one (PubChem CID 146018118) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
PubChem CID146018118
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one
SMILESCC1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C13H26O3Si/c1-9-10(2)12(14)16-11(9)8-15-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10?,11+/m0/s1
InChIKeyMKZONUUKOKANRS-KHUXNXPUSA-N
XLogP3.21
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 ≤ 53.21
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

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10709198
(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
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
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
(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
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10901006
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 9999501
(4S,5S)-4,5-dimethyl-3-trimethylsilyloxolan-2-one
CID 21677062
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one (CID 146018118) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one is CC1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one?
The InChIKey is MKZONUUKOKANRS-KHUXNXPUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-10(2)12(14)16-11(9)8-15-17(6,7)13(3,4)5/h9-11H,8H2,1-7H3/t9-,10?,11+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one?
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one has a molecular weight of 258.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 146018118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).