(3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol

C23H50O3Si2 — CID 134872746

About (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol

(3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol (PubChem CID 134872746) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol.

Molecular Properties

• Compound Name: (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol
• PubChem CID: 134872746
• Molecular Formula: C23H50O3Si2
• Molecular Weight: 430.82 g/mol
• Exact Mass: 430.33
• IUPAC Name: (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol
• SMILES: C=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H50O3Si2/c1-15-17(2)20(24)19(4)21(26-28(13,14)23(8,9)10)18(3)16-25-27(11,12)22(5,6)7/h15,17-21,24H,1,16H2,2-14H3/t17-,18-,19+,20-,21-/m1/s1
• InChIKey: BWRNJNMVXSQITO-YMQHIKHWSA-N
• XLogP: 6.85
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.82
LogP ≤ 5	6.85
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 (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol?

The IUPAC name of (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol (CID 134872746) is (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol.

What is the SMILES notation for (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol?

The canonical SMILES for (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol is C=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol?

The InChIKey is BWRNJNMVXSQITO-YMQHIKHWSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-15-17(2)20(24)19(4)21(26-28(13,14)23(8,9)10)18(3)16-25-27(11,12)22(5,6)7/h15,17-21,24H,1,16H2,2-14H3/t17-,18-,19+,20-,21-/m1/s1.

What are the key properties of (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol?

(3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol has a molecular weight of 430.82 g/mol, XLogP of 6.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol is sourced from PubChem (CID 134872746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).