(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one

C23H31NO3Si — CID 10692214

IUPAC(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one
SMILESCN(C)[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)26-17-18-16-21(24(4)5)22(25)27-18/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m1/s1
InChIKeyRYZPGWAPUZCERV-NQIIRXRSSA-N
MW397.59 g/mol
LogP2.81
Rot. Bonds6

About (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one (PubChem CID 10692214) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one
PubChem CID10692214
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one
SMILESCN(C)[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)26-17-18-16-21(24(4)5)22(25)27-18/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m1/s1
InChIKeyRYZPGWAPUZCERV-NQIIRXRSSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11784610
CID 11784610
CID 54275258
CID 54275258
CID 57066288
CID 57066288
CID 140851285
CID 140851285
CID 140851336
CID 140851336
CID 141022403
CID 141022403
CID 141048075
CID 141048075
CID 162743744
CID 162743744
CID 164521524
CID 164521524
CID 170595428
CID 170595428
CID 175579701
CID 175579701
CID 175579702
CID 175579702

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one?
The IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one (CID 10692214) is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one?
The canonical SMILES for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one is CN(C)[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one?
The InChIKey is RYZPGWAPUZCERV-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(19-12-8-6-9-13-19,20-14-10-7-11-15-20)26-17-18-16-21(24(4)5)22(25)27-18/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m1/s1.
What are the key properties of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one?
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one has a molecular weight of 397.59 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-one is sourced from PubChem (CID 10692214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).