5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one

C24H32F3NO4Si — CID 139649498

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](n2cc(CO[Si](C)(C)C(C)(C)C)ccc2=O)[C@@H]1O
InChIInChI=1S/C24H32F3NO4Si/c1-22(2,3)33(6,7)31-14-15-8-11-19(29)28(13-15)20-17-12-16(24(25,26)27)9-10-18(17)32-23(4,5)21(20)30/h8-13,20-21,30H,14H2,1-7H3/t20-,21+/m1/s1
InChIKeyAYMBIYHKMWREQW-RTWAWAEBSA-N
MW483.60 g/mol
LogP5.51
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one (PubChem CID 139649498) has the molecular formula C24H32F3NO4Si and a molecular weight of 483.60 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
PubChem CID139649498
Molecular FormulaC24H32F3NO4Si
Molecular Weight483.60 g/mol
Exact Mass483.21
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](n2cc(CO[Si](C)(C)C(C)(C)C)ccc2=O)[C@@H]1O
InChIInChI=1S/C24H32F3NO4Si/c1-22(2,3)33(6,7)31-14-15-8-11-19(29)28(13-15)20-17-12-16(24(25,26)27)9-10-18(17)32-23(4,5)21(20)30/h8-13,20-21,30H,14H2,1-7H3/t20-,21+/m1/s1
InChIKeyAYMBIYHKMWREQW-RTWAWAEBSA-N
XLogP5.51
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 55.51
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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one (CID 139649498) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one is CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](n2cc(CO[Si](C)(C)C(C)(C)C)ccc2=O)[C@@H]1O.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
The InChIKey is AYMBIYHKMWREQW-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H32F3NO4Si/c1-22(2,3)33(6,7)31-14-15-8-11-19(29)28(13-15)20-17-12-16(24(25,26)27)9-10-18(17)32-23(4,5)21(20)30/h8-13,20-21,30H,14H2,1-7H3/t20-,21+/m1/s1.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one has a molecular weight of 483.60 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one is sourced from PubChem (CID 139649498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).