(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one

C18H29NO5Si — CID 167358439

IUPAC(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OCc1ccncc1
InChIInChI=1S/C18H29NO5Si/c1-17(2,3)25(5,6)23-12-14-15(18(4,21)16(20)24-14)22-11-13-7-9-19-10-8-13/h7-10,14-15,21H,11-12H2,1-6H3/t14-,15-,18+/m1/s1
InChIKeyAEHNXMWRUQGTIA-RKVPGOIHSA-N
MW367.52 g/mol
LogP2.66
Rot. Bonds6

About (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one

(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one (PubChem CID 167358439) has the molecular formula C18H29NO5Si and a molecular weight of 367.52 g/mol. Its IUPAC name is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one
PubChem CID167358439
Molecular FormulaC18H29NO5Si
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OCc1ccncc1
InChIInChI=1S/C18H29NO5Si/c1-17(2,3)25(5,6)23-12-14-15(18(4,21)16(20)24-14)22-11-13-7-9-19-10-8-13/h7-10,14-15,21H,11-12H2,1-6H3/t14-,15-,18+/m1/s1
InChIKeyAEHNXMWRUQGTIA-RKVPGOIHSA-N
XLogP2.66
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
CID 169299290
(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 169299268
(3S,4R,5R)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chlorooxolan-2-one
CID 140775730
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate
CID 169299199
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 11737786
(1S,3R,3aS,7S,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-bis(phenylmethoxy)-1,2,3,3a,7,7a-hexahydroinden-4-one
CID 11237227
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
(5S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-prop-1-en-2-yl-9-trimethylsilyloxy-2-oxaspiro[4.5]decane-1,6-dione
CID 177495281
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyoxan-4-yl] imidazole-1-carboxylate
CID 139966575

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one (CID 167358439) is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OCc1ccncc1.
What is the InChIKey of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one?
The InChIKey is AEHNXMWRUQGTIA-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H29NO5Si/c1-17(2,3)25(5,6)23-12-14-15(18(4,21)16(20)24-14)22-11-13-7-9-19-10-8-13/h7-10,14-15,21H,11-12H2,1-6H3/t14-,15-,18+/m1/s1.
What are the key properties of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one?
(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one has a molecular weight of 367.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one is sourced from PubChem (CID 167358439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).