4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one

C27H28O4Si — CID 162926023

IUPAC4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one
SMILESC=CCC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1O
InChIInChI=1S/C27H28O4Si/c1-2-12-25-26(28)19-21(31-27(25)29)20-30-32(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h2-11,13-18,21,25-26,28H,1,12,19-20H2
InChIKeyDRKBKMXGRPKDIP-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.54
Rot. Bonds8

About 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one

4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one (PubChem CID 162926023) has the molecular formula C27H28O4Si and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one
PubChem CID162926023
Molecular FormulaC27H28O4Si
Molecular Weight444.60 g/mol
Exact Mass444.18
IUPAC Name4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one
SMILESC=CCC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1O
InChIInChI=1S/C27H28O4Si/c1-2-12-25-26(28)19-21(31-27(25)29)20-30-32(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h2-11,13-18,21,25-26,28H,1,12,19-20H2
InChIKeyDRKBKMXGRPKDIP-UHFFFAOYSA-N
XLogP2.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.54
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162995378
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
ethenyl-(oxiran-2-ylmethoxy)-diphenylsilane
CID 21134261
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one
CID 100953437
(4S,6R)-4-benzyl-6-prop-2-enyl-1,3-dioxan-2-one
CID 122388225
(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
CID 142893830
(2S)-2-[(2R,5S)-5-(triphenylsilyloxymethyl)oxolan-2-yl]but-3-yn-2-ol
CID 101197118
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one?
The IUPAC name of 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one (CID 162926023) is 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one?
The canonical SMILES for 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one is C=CCC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1O.
What is the InChIKey of 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one?
The InChIKey is DRKBKMXGRPKDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O4Si/c1-2-12-25-26(28)19-21(31-27(25)29)20-30-32(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h2-11,13-18,21,25-26,28H,1,12,19-20H2.
What are the key properties of 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one?
4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one has a molecular weight of 444.60 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 162926023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).