4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol

C28H46O5Si2 — CID 11329822

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol (PubChem CID 11329822) has the molecular formula C28H46O5Si2 and a molecular weight of 518.84 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol
• PubChem CID: 11329822
• Molecular Formula: C28H46O5Si2
• Molecular Weight: 518.84 g/mol
• Exact Mass: 518.29
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol
• SMILES: C=CC[C@@H](O[Si](C)(C)C(C)(C)C)c1cc(O[Si](C)(C)C(C)(C)C)c2c(OC)ccc(OC)c2c1O
• InChI: InChI=1S/C28H46O5Si2/c1-14-15-20(32-34(10,11)27(2,3)4)19-18-23(33-35(12,13)28(5,6)7)24-21(30-8)16-17-22(31-9)25(24)26(19)29/h14,16-18,20,29H,1,15H2,2-13H3/t20-/m1/s1
• InChIKey: NQZTUAFERMNYBK-HXUWFJFHSA-N
• XLogP: 8.59
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.84
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol (CID 11329822) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol is C=CC[C@@H](O[Si](C)(C)C(C)(C)C)c1cc(O[Si](C)(C)C(C)(C)C)c2c(OC)ccc(OC)c2c1O.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol?

The InChIKey is NQZTUAFERMNYBK-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H46O5Si2/c1-14-15-20(32-34(10,11)27(2,3)4)19-18-23(33-35(12,13)28(5,6)7)24-21(30-8)16-17-22(31-9)25(24)26(19)29/h14,16-18,20,29H,1,15H2,2-13H3/t20-/m1/s1.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol?

4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol has a molecular weight of 518.84 g/mol, XLogP of 8.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol is sourced from PubChem (CID 11329822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).