1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one

C28H36O4Si — CID 11070636

IUPAC1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one
SMILESC#C[C@@](C)(OCC(C)=O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H36O4Si/c1-7-28(6,30-20-22(2)29)26-19-18-23(32-26)21-31-33(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h1,8-17,23,26H,18-21H2,2-6H3/t23-,26+,28+/m0/s1
InChIKeyOPZKSYJDYWDWIJ-DANFDKMISA-N
MW464.68 g/mol
LogP4.11
Rot. Bonds9

About 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one

1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one (PubChem CID 11070636) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one
PubChem CID11070636
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Name1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one
SMILESC#C[C@@](C)(OCC(C)=O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H36O4Si/c1-7-28(6,30-20-22(2)29)26-19-18-23(32-26)21-31-33(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h1,8-17,23,26H,18-21H2,2-6H3/t23-,26+,28+/m0/s1
InChIKeyOPZKSYJDYWDWIJ-DANFDKMISA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol
CID 101197118
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethynyloxolan-3-yl] acetate
CID 140772716
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-yl] acetate
CID 10718012
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
CID 11799218

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one?
The IUPAC name of 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one (CID 11070636) is 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one.
What is the SMILES notation for 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one?
The canonical SMILES for 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one is C#C[C@@](C)(OCC(C)=O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one?
The InChIKey is OPZKSYJDYWDWIJ-DANFDKMISA-N. The full InChI is InChI=1S/C28H36O4Si/c1-7-28(6,30-20-22(2)29)26-19-18-23(32-26)21-31-33(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h1,8-17,23,26H,18-21H2,2-6H3/t23-,26+,28+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one?
1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one has a molecular weight of 464.68 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one is sourced from PubChem (CID 11070636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).