(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol

C21H36O4Si — CID 50915846

IUPAC(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H](O)C[C@@H](CCOCc2ccccc2)O1
InChIInChI=1S/C21H36O4Si/c1-21(2,3)26(4,5)24-16-20-14-18(22)13-19(25-20)11-12-23-15-17-9-7-6-8-10-17/h6-10,18-20,22H,11-16H2,1-5H3/t18-,19-,20-/m1/s1
InChIKeyWSXADPPVAUXEPB-VAMGGRTRSA-N
MW380.60 g/mol
LogP4.52
Rot. Bonds8

About (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol

(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol (PubChem CID 50915846) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol
PubChem CID50915846
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Name(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H](O)C[C@@H](CCOCc2ccccc2)O1
InChIInChI=1S/C21H36O4Si/c1-21(2,3)26(4,5)24-16-20-14-18(22)13-19(25-20)11-12-23-15-17-9-7-6-8-10-17/h6-10,18-20,22H,11-16H2,1-5H3/t18-,19-,20-/m1/s1
InChIKeyWSXADPPVAUXEPB-VAMGGRTRSA-N
XLogP4.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-methyl-benzyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
CID 10236901
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(2-m-tolyl-ethyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
CID 44561635
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 10863701
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-m-tolyl-propyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
CID 9842444
(2S,3S,4R,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414385
(2S,3S,4R,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414628
(2S,3S,4R,5R,6R)-2-(2-methylpropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 44414641
(2R,3R)-2-heptyl-5-phenylmethoxypentane-1,3-diol
CID 46200964
(2R,3R)-2-octyl-5-phenylmethoxypentane-1,3-diol
CID 46229532
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-propyloxan-3-ol
CID 10814448
(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 11798731
(2R,3S,4R,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 15726291

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol?
The IUPAC name of (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol (CID 50915846) is (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol.
What is the SMILES notation for (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol?
The canonical SMILES for (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol is CC(C)(C)[Si](C)(C)OC[C@H]1C[C@H](O)C[C@@H](CCOCc2ccccc2)O1.
What is the InChIKey of (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol?
The InChIKey is WSXADPPVAUXEPB-VAMGGRTRSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-21(2,3)26(4,5)24-16-20-14-18(22)13-19(25-20)11-12-23-15-17-9-7-6-8-10-17/h6-10,18-20,22H,11-16H2,1-5H3/t18-,19-,20-/m1/s1.
What are the key properties of (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol?
(2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol has a molecular weight of 380.60 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-phenylmethoxyethyl)oxan-4-ol is sourced from PubChem (CID 50915846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).