(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one

C24H32O3Si — CID 14215132

IUPAC(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
SMILESCCC[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-5-12-19-17-23(25)27-22(19)18-26-28(24(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,5,12,17-18H2,1-4H3/t19-,22+/m0/s1
InChIKeyMDWMCPRPHXCLFF-SIKLNZKXSA-N
MW396.60 g/mol
LogP4.29
Rot. Bonds7

About (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one (PubChem CID 14215132) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
PubChem CID14215132
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
SMILESCCC[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-5-12-19-17-23(25)27-22(19)18-26-28(24(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,5,12,17-18H2,1-4H3/t19-,22+/m0/s1
InChIKeyMDWMCPRPHXCLFF-SIKLNZKXSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanyloxolan-2-one
CID 134937918
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 11014073
ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 11014491
(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one
CID 16725141
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one (CID 14215132) is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one is CCC[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one?
The InChIKey is MDWMCPRPHXCLFF-SIKLNZKXSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-5-12-19-17-23(25)27-22(19)18-26-28(24(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,5,12,17-18H2,1-4H3/t19-,22+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one?
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one has a molecular weight of 396.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one is sourced from PubChem (CID 14215132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).