(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol

C27H28O3Si — CID 101197118

IUPAC(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol
SMILESC#C[C@](C)(O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H28O3Si/c1-3-27(2,28)26-20-19-22(30-26)21-29-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h1,4-18,22,26,28H,19-21H2,2H3/t22-,26+,27-/m0/s1
InChIKeyPKBHFYRGRPLNGQ-FDJWOJMMSA-N
MW428.60 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol

(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol (PubChem CID 101197118) has the molecular formula C27H28O3Si and a molecular weight of 428.60 g/mol. Its IUPAC name is (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol
PubChem CID101197118
Molecular FormulaC27H28O3Si
Molecular Weight428.60 g/mol
Exact Mass428.18
IUPAC Name(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol
SMILESC#C[C@](C)(O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H28O3Si/c1-3-27(2,28)26-20-19-22(30-26)21-29-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h1,4-18,22,26,28H,19-21H2,2H3/t22-,26+,27-/m0/s1
InChIKeyPKBHFYRGRPLNGQ-FDJWOJMMSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one
CID 11070636
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162995378
(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
CID 11799218
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol?
The IUPAC name of (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol (CID 101197118) is (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol.
What is the SMILES notation for (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol?
The canonical SMILES for (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol is C#C[C@](C)(O)[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol?
The InChIKey is PKBHFYRGRPLNGQ-FDJWOJMMSA-N. The full InChI is InChI=1S/C27H28O3Si/c1-3-27(2,28)26-20-19-22(30-26)21-29-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h1,4-18,22,26,28H,19-21H2,2H3/t22-,26+,27-/m0/s1.
What are the key properties of (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol?
(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol has a molecular weight of 428.60 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 101197118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).