(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one

C24H38O4Si — CID 71560102

IUPAC(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one
SMILESC[C@H](COCc1ccccc1)C1=CC(=O)O[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H38O4Si/c1-18(15-26-17-20-11-9-8-10-12-20)21-13-22(28-23(25)14-21)19(2)16-27-29(6,7)24(3,4)5/h8-12,14,18-19,22H,13,15-17H2,1-7H3/t18-,19-,22+/m1/s1
InChIKeyHMHSMILEPVFVIS-KNKQGSTJSA-N
MW418.65 g/mol
LogP5.74
Rot. Bonds9

About (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one

(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one (PubChem CID 71560102) has the molecular formula C24H38O4Si and a molecular weight of 418.65 g/mol. Its IUPAC name is (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one
PubChem CID71560102
Molecular FormulaC24H38O4Si
Molecular Weight418.65 g/mol
Exact Mass418.25
IUPAC Name(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one
SMILESC[C@H](COCc1ccccc1)C1=CC(=O)O[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H38O4Si/c1-18(15-26-17-20-11-9-8-10-12-20)21-13-22(28-23(25)14-21)19(2)16-27-29(6,7)24(3,4)5/h8-12,14,18-19,22H,13,15-17H2,1-7H3/t18-,19-,22+/m1/s1
InChIKeyHMHSMILEPVFVIS-KNKQGSTJSA-N
XLogP5.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.65
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(5S)-5-[(2S,3R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylmethoxyheptan-3-yl]pyrrolidin-2-one
CID 11114448
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-[(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-phenylmethoxypentan-3-yl]oxy-dimethylsilane
CID 11080355
(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443
methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate
CID 69172773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one (CID 71560102) is (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one is C[C@H](COCc1ccccc1)C1=CC(=O)O[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one?
The InChIKey is HMHSMILEPVFVIS-KNKQGSTJSA-N. The full InChI is InChI=1S/C24H38O4Si/c1-18(15-26-17-20-11-9-8-10-12-20)21-13-22(28-23(25)14-21)19(2)16-27-29(6,7)24(3,4)5/h8-12,14,18-19,22H,13,15-17H2,1-7H3/t18-,19-,22+/m1/s1.
What are the key properties of (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one?
(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 418.65 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 71560102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).