(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C18H35NO5Si — CID 11153010

IUPAC(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-12(2)15-11-23-17(22)19(15)16(21)10-14(20)9-13(3)24-25(7,8)18(4,5)6/h12-15,20H,9-11H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyUJFOLHVASAKCOE-SOUVJXGZSA-N
MW373.57 g/mol
LogP3.54
Rot. Bonds7

About (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11153010) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11153010
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-12(2)15-11-23-17(22)19(15)16(21)10-14(20)9-13(3)24-25(7,8)18(4,5)6/h12-15,20H,9-11H2,1-8H3/t13-,14-,15+/m0/s1
InChIKeyUJFOLHVASAKCOE-SOUVJXGZSA-N
XLogP3.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 46934909
(2S,4R)-N-tert-Butoxycarbonyl-2-[2-(N-tert-butoxycarbonyl-N-methylcarbamoyl)-1-hydroxyethyl]-4-tert-butyldimethylsiloxypyrrolidine
CID 57270456
Tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate
CID 164561815
tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10521466
ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10958100
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10980882
(4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11004763
(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11038065
(4S)-3-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11225541
(4S)-3-[(3S,5S)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11288404
(4S)-3-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11303322
(4S)-3-[(3S,5R)-3,5-dihydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11311482

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11153010) is (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UJFOLHVASAKCOE-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-12(2)15-11-23-17(22)19(15)16(21)10-14(20)9-13(3)24-25(7,8)18(4,5)6/h12-15,20H,9-11H2,1-8H3/t13-,14-,15+/m0/s1.
What are the key properties of (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 373.57 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11153010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).