(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one

C27H36O3Si — CID 134979484

IUPAC(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C27H36O3Si/c1-22(21-23-14-11-19-26(28)30-23)13-12-20-29-31(27(2,3)4,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-11,15-19,22-23H,12-14,20-21H2,1-4H3/t22-,23-/m0/s1
InChIKeyGNBHMYOKWNNHQZ-GOTSBHOMSA-N
MW436.67 g/mol
LogP5.24
Rot. Bonds9

About (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one

(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one (PubChem CID 134979484) has the molecular formula C27H36O3Si and a molecular weight of 436.67 g/mol. Its IUPAC name is (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one
PubChem CID134979484
Molecular FormulaC27H36O3Si
Molecular Weight436.67 g/mol
Exact Mass436.24
IUPAC Name(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C27H36O3Si/c1-22(21-23-14-11-19-26(28)30-23)13-12-20-29-31(27(2,3)4,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-11,15-19,22-23H,12-14,20-21H2,1-4H3/t22-,23-/m0/s1
InChIKeyGNBHMYOKWNNHQZ-GOTSBHOMSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one (CID 134979484) is (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one is C[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one?
The InChIKey is GNBHMYOKWNNHQZ-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H36O3Si/c1-22(21-23-14-11-19-26(28)30-23)13-12-20-29-31(27(2,3)4,24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-11,15-19,22-23H,12-14,20-21H2,1-4H3/t22-,23-/m0/s1.
What are the key properties of (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one has a molecular weight of 436.67 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 134979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).