(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one

C33H52O4Si2 — CID 134974933

IUPAC(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one
SMILESCCCC[C@]1([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](CC)(CC)CC)CCCC(=O)O1
InChIInChI=1S/C33H52O4Si2/c1-8-12-25-33(26-19-24-31(34)36-33)30(37-38(9-2,10-3)11-4)27-35-39(32(5,6)7,28-20-15-13-16-21-28)29-22-17-14-18-23-29/h13-18,20-23,30H,8-12,19,24-27H2,1-7H3/t30-,33+/m0/s1
InChIKeyHFASATHOQXOSSL-BZKUTMRRSA-N
MW568.95 g/mol
LogP7.61
Rot. Bonds14

About (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one

(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one (PubChem CID 134974933) has the molecular formula C33H52O4Si2 and a molecular weight of 568.95 g/mol. Its IUPAC name is (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one
PubChem CID134974933
Molecular FormulaC33H52O4Si2
Molecular Weight568.95 g/mol
Exact Mass568.34
IUPAC Name(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one
SMILESCCCC[C@]1([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](CC)(CC)CC)CCCC(=O)O1
InChIInChI=1S/C33H52O4Si2/c1-8-12-25-33(26-19-24-31(34)36-33)30(37-38(9-2,10-3)11-4)27-35-39(32(5,6)7,28-20-15-13-16-21-28)29-22-17-14-18-23-29/h13-18,20-23,30H,8-12,19,24-27H2,1-7H3/t30-,33+/m0/s1
InChIKeyHFASATHOQXOSSL-BZKUTMRRSA-N
XLogP7.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.95
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one?
The IUPAC name of (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one (CID 134974933) is (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one.
What is the SMILES notation for (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one?
The canonical SMILES for (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one is CCCC[C@]1([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](CC)(CC)CC)CCCC(=O)O1.
What is the InChIKey of (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one?
The InChIKey is HFASATHOQXOSSL-BZKUTMRRSA-N. The full InChI is InChI=1S/C33H52O4Si2/c1-8-12-25-33(26-19-24-31(34)36-33)30(37-38(9-2,10-3)11-4)27-35-39(32(5,6)7,28-20-15-13-16-21-28)29-22-17-14-18-23-29/h13-18,20-23,30H,8-12,19,24-27H2,1-7H3/t30-,33+/m0/s1.
What are the key properties of (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one?
(6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one has a molecular weight of 568.95 g/mol, XLogP of 7.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]oxan-2-one is sourced from PubChem (CID 134974933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).