(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol

C24H32O4Si — CID 99772772

IUPAC(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
SMILESC=C[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)[C@@H](OC)O1
InChIInChI=1S/C24H32O4Si/c1-6-24(17-21(25)22(26-5)28-24)18-27-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,21-22,25H,1,17-18H2,2-5H3/t21-,22+,24+/m1/s1
InChIKeyMETGBWGAFHFPKK-GPXNEJASSA-N
MW412.60 g/mol
LogP3.24
Rot. Bonds7

About (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol

(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol (PubChem CID 99772772) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
PubChem CID99772772
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
SMILESC=C[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)[C@@H](OC)O1
InChIInChI=1S/C24H32O4Si/c1-6-24(17-21(25)22(26-5)28-24)18-27-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,21-22,25H,1,17-18H2,2-5H3/t21-,22+,24+/m1/s1
InChIKeyMETGBWGAFHFPKK-GPXNEJASSA-N
XLogP3.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
CID 59483239
CID 59483239
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
CID 59638519
CID 59638519
4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
CID 101179874
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483252
(2S)-2-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetaldehyde
CID 11626914

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol?
The IUPAC name of (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol (CID 99772772) is (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol is C=C[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O)[C@@H](OC)O1.
What is the InChIKey of (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol?
The InChIKey is METGBWGAFHFPKK-GPXNEJASSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-6-24(17-21(25)22(26-5)28-24)18-27-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,21-22,25H,1,17-18H2,2-5H3/t21-,22+,24+/m1/s1.
What are the key properties of (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol?
(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol has a molecular weight of 412.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol is sourced from PubChem (CID 99772772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).