(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one

C16H32O4Si — CID 10903190

IUPAC(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C(C(C)(C)O)[C@@H]1C
InChIInChI=1S/C16H32O4Si/c1-10-12(16(6,7)18)14(17)19-13(10)11(2)20-21(8,9)15(3,4)5/h10-13,18H,1-9H3/t10-,11-,12?,13+/m0/s1
InChIKeyFQCNJDMVWQAQIN-DHCRQFENSA-N
MW316.51 g/mol
LogP3.35
Rot. Bonds4

About (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one

(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one (PubChem CID 10903190) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
PubChem CID10903190
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C(C(C)(C)O)[C@@H]1C
InChIInChI=1S/C16H32O4Si/c1-10-12(16(6,7)18)14(17)19-13(10)11(2)20-21(8,9)15(3,4)5/h10-13,18H,1-9H3/t10-,11-,12?,13+/m0/s1
InChIKeyFQCNJDMVWQAQIN-DHCRQFENSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S,2S)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 10935946
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 11809208
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 10870755
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710
(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoic acid
CID 54578144
ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
CID 134944790
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 135011853
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S,2S)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
CID 135011854
tert-butyl (2R,5S,7S,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2,7-dihydroxy-2,6-dimethyl-10-oxabicyclo[5.2.1]decane-8-carboxylate
CID 135013981
tert-butyl (1S,2R,5S,7S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7-dihydroxy-2,6-dimethyl-10-oxabicyclo[5.2.1]decane-8-carboxylate
CID 135014219
(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoic acid
CID 135043551
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one
CID 146018114

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The IUPAC name of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one (CID 10903190) is (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C(C(C)(C)O)[C@@H]1C.
What is the InChIKey of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
The InChIKey is FQCNJDMVWQAQIN-DHCRQFENSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-10-12(16(6,7)18)14(17)19-13(10)11(2)20-21(8,9)15(3,4)5/h10-13,18H,1-9H3/t10-,11-,12?,13+/m0/s1.
What are the key properties of (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one?
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one has a molecular weight of 316.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-hydroxypropan-2-yl)-4-methyloxolan-2-one is sourced from PubChem (CID 10903190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).