(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

C27H42O2Si2 — CID 162404498

About (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (PubChem CID 162404498) has the molecular formula C27H42O2Si2 and a molecular weight of 454.80 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.

Molecular Properties

• Compound Name: (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
• PubChem CID: 162404498
• Molecular Formula: C27H42O2Si2
• Molecular Weight: 454.80 g/mol
• Exact Mass: 454.27
• IUPAC Name: (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
• SMILES: C=C(C[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C27H42O2Si2/c1-22(21-30(6,7)8)19-26(28)23(2)20-29-31(27(3,4)5,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26,28H,1,19-21H2,2-8H3/t23-,26-/m1/s1
• InChIKey: OMRWIYFKBIJDBR-ZEQKJWHPSA-N
• XLogP: 5.84
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.80
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?

The IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (CID 162404498) is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.

What is the SMILES notation for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?

The canonical SMILES for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is C=C(C[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[Si](C)(C)C.

What is the InChIKey of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?

The InChIKey is OMRWIYFKBIJDBR-ZEQKJWHPSA-N. The full InChI is InChI=1S/C27H42O2Si2/c1-22(21-30(6,7)8)19-26(28)23(2)20-29-31(27(3,4)5,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26,28H,1,19-21H2,2-8H3/t23-,26-/m1/s1.

What are the key properties of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?

(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol has a molecular weight of 454.80 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is sourced from PubChem (CID 162404498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).