(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol

C30H48O3Si2 — CID 11598732

About (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol

(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol (PubChem CID 11598732) has the molecular formula C30H48O3Si2 and a molecular weight of 512.88 g/mol. Its IUPAC name is (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol.

Molecular Properties

• Compound Name: (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
• PubChem CID: 11598732
• Molecular Formula: C30H48O3Si2
• Molecular Weight: 512.88 g/mol
• Exact Mass: 512.31
• IUPAC Name: (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
• SMILES: C/C(=C/[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H48O3Si2/c1-24(21-28(31)25(2)23-32-34(9,10)29(3,4)5)22-33-35(30(6,7)8,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-21,25,28,31H,22-23H2,1-10H3/b24-21-/t25-,28-/m1/s1
• InChIKey: LGAWUAQVJXXJBD-ZJRGRKBCSA-N
• XLogP: 6.53
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.88
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol?

The IUPAC name of (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol (CID 11598732) is (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol.

What is the SMILES notation for (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol?

The canonical SMILES for (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol is C/C(=C/[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol?

The InChIKey is LGAWUAQVJXXJBD-ZJRGRKBCSA-N. The full InChI is InChI=1S/C30H48O3Si2/c1-24(21-28(31)25(2)23-32-34(9,10)29(3,4)5)22-33-35(30(6,7)8,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-21,25,28,31H,22-23H2,1-10H3/b24-21-/t25-,28-/m1/s1.

What are the key properties of (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol?

(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol has a molecular weight of 512.88 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 11598732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).