(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde

C32H64O5Si2 — CID 11192546

About (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde

(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde (PubChem CID 11192546) has the molecular formula C32H64O5Si2 and a molecular weight of 585.03 g/mol. Its IUPAC name is (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde.

Molecular Properties

• Compound Name: (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde
• PubChem CID: 11192546
• Molecular Formula: C32H64O5Si2
• Molecular Weight: 585.03 g/mol
• Exact Mass: 584.43
• IUPAC Name: (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde
• SMILES: CCCCCC[C@@H](CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H](C=O)O2)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H64O5Si2/c1-12-13-14-15-17-25(36-38(8,9)31(2,3)4)18-16-19-30(37-39(10,11)32(5,6)7)29-23-22-28(35-29)27-21-20-26(24-33)34-27/h24-30H,12-23H2,1-11H3/t25-,26+,27+,28+,29+,30+/m0/s1
• InChIKey: UUQYCODCSGWOCV-CLKLPDSKSA-N
• XLogP: 9.20
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.03
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The IUPAC name of (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde (CID 11192546) is (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde.

What is the SMILES notation for (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The canonical SMILES for (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde is CCCCCC[C@@H](CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H](C=O)O2)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The InChIKey is UUQYCODCSGWOCV-CLKLPDSKSA-N. The full InChI is InChI=1S/C32H64O5Si2/c1-12-13-14-15-17-25(36-38(8,9)31(2,3)4)18-16-19-30(37-39(10,11)32(5,6)7)29-23-22-28(35-29)27-21-20-26(24-33)34-27/h24-30H,12-23H2,1-11H3/t25-,26+,27+,28+,29+,30+/m0/s1.

What are the key properties of (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde has a molecular weight of 585.03 g/mol, XLogP of 9.20, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11192546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).