(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone

C30H36O4Si — CID 11799218

IUPAC(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
SMILESCC(C)(C)[Si](OC[C@H]1CCC[C@H]([C@@H](O)C(=O)c2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36O4Si/c1-30(2,3)35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)33-22-24-16-13-21-27(34-24)29(32)28(31)23-14-7-4-8-15-23/h4-12,14-15,17-20,24,27,29,32H,13,16,21-22H2,1-3H3/t24-,27-,29-/m1/s1
InChIKeyGPENIHLDNLRKFU-WOEHHYBBSA-N
MW488.70 g/mol
LogP4.74
Rot. Bonds8

About (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone

(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone (PubChem CID 11799218) has the molecular formula C30H36O4Si and a molecular weight of 488.70 g/mol. Its IUPAC name is (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
PubChem CID11799218
Molecular FormulaC30H36O4Si
Molecular Weight488.70 g/mol
Exact Mass488.24
IUPAC Name(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
SMILESCC(C)(C)[Si](OC[C@H]1CCC[C@H]([C@@H](O)C(=O)c2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36O4Si/c1-30(2,3)35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)33-22-24-16-13-21-27(34-24)29(32)28(31)23-14-7-4-8-15-23/h4-12,14-15,17-20,24,27,29,32H,13,16,21-22H2,1-3H3/t24-,27-,29-/m1/s1
InChIKeyGPENIHLDNLRKFU-WOEHHYBBSA-N
XLogP4.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 101038654
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(3R,7S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-3-methyloxepan-2-yl] benzoate
CID 71171700
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
[(3R,4R,7S)-2-benzoyloxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxyoxepan-3-yl] benzoate
CID 58940425
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
(2S)-2-hydroxy-2-[(2R,6S)-6-(hydroxymethyl)oxan-2-yl]-1-(4-methoxyphenyl)ethanone
CID 101348867
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
(4S)-2-(benzenesulfonyl)-1,4-bis[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-4-phenylmethoxybutan-1-ol
CID 11083606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone?
The IUPAC name of (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone (CID 11799218) is (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone is CC(C)(C)[Si](OC[C@H]1CCC[C@H]([C@@H](O)C(=O)c2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone?
The InChIKey is GPENIHLDNLRKFU-WOEHHYBBSA-N. The full InChI is InChI=1S/C30H36O4Si/c1-30(2,3)35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)33-22-24-16-13-21-27(34-24)29(32)28(31)23-14-7-4-8-15-23/h4-12,14-15,17-20,24,27,29,32H,13,16,21-22H2,1-3H3/t24-,27-,29-/m1/s1.
What are the key properties of (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone?
(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone has a molecular weight of 488.70 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 11799218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).