(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde

C31H46O4Si2 — CID 101236403

IUPAC(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde
SMILESCC[Si](CC)(CC)OC[C@@H]1C/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C31H46O4Si2/c1-7-36(8-2,9-3)34-25-28-23-26(22-27(24-32)35-28)20-21-33-37(31(4,5)6,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-20,24,27-28H,7-9,21-23,25H2,1-6H3/b26-20+/t27-,28+/m1/s1
InChIKeySYUVUWGOTGVVOX-MPYYRBGYSA-N
MW538.88 g/mol
LogP6.26
Rot. Bonds12

About (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde

(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde (PubChem CID 101236403) has the molecular formula C31H46O4Si2 and a molecular weight of 538.88 g/mol. Its IUPAC name is (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde
PubChem CID101236403
Molecular FormulaC31H46O4Si2
Molecular Weight538.88 g/mol
Exact Mass538.29
IUPAC Name(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde
SMILESCC[Si](CC)(CC)OC[C@@H]1C/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C31H46O4Si2/c1-7-36(8-2,9-3)34-25-28-23-26(22-27(24-32)35-28)20-21-33-37(31(4,5)6,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-20,24,27-28H,7-9,21-23,25H2,1-6H3/b26-20+/t27-,28+/m1/s1
InChIKeySYUVUWGOTGVVOX-MPYYRBGYSA-N
XLogP6.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.88
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde?
The IUPAC name of (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde (CID 101236403) is (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde.
What is the SMILES notation for (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde?
The canonical SMILES for (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde is CC[Si](CC)(CC)OC[C@@H]1C/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C=O)O1.
What is the InChIKey of (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde?
The InChIKey is SYUVUWGOTGVVOX-MPYYRBGYSA-N. The full InChI is InChI=1S/C31H46O4Si2/c1-7-36(8-2,9-3)34-25-28-23-26(22-27(24-32)35-28)20-21-33-37(31(4,5)6,29-16-12-10-13-17-29)30-18-14-11-15-19-30/h10-20,24,27-28H,7-9,21-23,25H2,1-6H3/b26-20+/t27-,28+/m1/s1.
What are the key properties of (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde?
(2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde has a molecular weight of 538.88 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(triethylsilyloxymethyl)oxane-2-carbaldehyde is sourced from PubChem (CID 101236403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).