(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

C23H30O4Si — CID 71523782

IUPAC(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyMHMBMWPPEWTAMH-SFTDATJTSA-N
MW398.58 g/mol
LogP3.02
Rot. Bonds7

About (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (PubChem CID 71523782) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
PubChem CID71523782
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyMHMBMWPPEWTAMH-SFTDATJTSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.02
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

(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 11167004
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
CID 11406491
(1R)-1-[(2S,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 101051153
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
tert-butyl (5S)-6-tert-butyldiphenylsilyloxy-5-hydroxy-3-oxohexanoate
CID 11984446
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
(4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 16098125
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
CID 10961482
D-erythro-Pentonic acid, 3-deoxy-5-O-((1,1-dimethylethyl)diphenylsilyl)-, gamma-lactone
CID 11440139
(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one
CID 11440980
tert-butyl (3S)-3-[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-3-hydroxypropanoate
CID 11705189
tert-butyl (3S)-3-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-3-hydroxypropanoate
CID 12184903

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (CID 71523782) is (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is CC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The InChIKey is MHMBMWPPEWTAMH-SFTDATJTSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one has a molecular weight of 398.58 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 71523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).