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

C12H24O3Si — CID 139776964

IUPAC(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyMPHNXYYYBKNREK-NXEZZACHSA-N
MW244.41 g/mol
LogP2.96
Rot. Bonds3

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

(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one (PubChem CID 139776964) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one
PubChem CID139776964
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyMPHNXYYYBKNREK-NXEZZACHSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.96
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]-3,4-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
(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
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one (CID 139776964) is (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one is C[C@@H]1CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one?
The InChIKey is MPHNXYYYBKNREK-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9-7-11(13)15-10(9)8-14-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one?
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one has a molecular weight of 244.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 139776964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).