(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one

C27H38O5Si — CID 134929456

IUPAC(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one
SMILESCC1(C)OCC(CC(=O)C[C@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C27H38O5Si/c1-26(2,3)33(24-12-8-6-9-13-24,25-14-10-7-11-15-25)31-17-16-21(28)18-22(29)19-23-20-30-27(4,5)32-23/h6-15,21,23,28H,16-20H2,1-5H3/t21-,23?/m1/s1
InChIKeyCKNWYLZMRXLYKS-FKHAVUOCSA-N
MW470.68 g/mol
LogP3.81
Rot. Bonds10

About (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one

(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one (PubChem CID 134929456) has the molecular formula C27H38O5Si and a molecular weight of 470.68 g/mol. Its IUPAC name is (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one.

Molecular Properties

Compound Name(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one
PubChem CID134929456
Molecular FormulaC27H38O5Si
Molecular Weight470.68 g/mol
Exact Mass470.25
IUPAC Name(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one
SMILESCC1(C)OCC(CC(=O)C[C@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C27H38O5Si/c1-26(2,3)33(24-12-8-6-9-13-24,25-14-10-7-11-15-25)31-17-16-21(28)18-22(29)19-23-20-30-27(4,5)32-23/h6-15,21,23,28H,16-20H2,1-5H3/t21-,23?/m1/s1
InChIKeyCKNWYLZMRXLYKS-FKHAVUOCSA-N
XLogP3.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one?
The IUPAC name of (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one (CID 134929456) is (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one.
What is the SMILES notation for (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one?
The canonical SMILES for (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one is CC1(C)OCC(CC(=O)C[C@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one?
The InChIKey is CKNWYLZMRXLYKS-FKHAVUOCSA-N. The full InChI is InChI=1S/C27H38O5Si/c1-26(2,3)33(24-12-8-6-9-13-24,25-14-10-7-11-15-25)31-17-16-21(28)18-22(29)19-23-20-30-27(4,5)32-23/h6-15,21,23,28H,16-20H2,1-5H3/t21-,23?/m1/s1.
What are the key properties of (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one?
(4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one has a molecular weight of 470.68 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[tert-butyl(diphenyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxyhexan-2-one is sourced from PubChem (CID 134929456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).