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

C18H35NO5Si — CID 11314803

IUPAC(4S)-3-[(3R,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-RRFJBIMHSA-N
MW373.57 g/mol
LogP3.54
Rot. Bonds7

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

(4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11314803) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is (4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11314803
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name(4S)-3-[(3R,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-RRFJBIMHSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11314803) is (4S)-3-[(3R,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-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R,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-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UJFOLHVASAKCOE-RRFJBIMHSA-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-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R,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-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11314803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).