[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate

C75H144N2O7Si — CID 159720800

About [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate

[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate (PubChem CID 159720800) has the molecular formula C75H144N2O7Si and a molecular weight of 1214.07 g/mol. Its IUPAC name is [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate.

Molecular Properties

• Compound Name: [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate
• PubChem CID: 159720800
• Molecular Formula: C75H144N2O7Si
• Molecular Weight: 1214.07 g/mol
• Exact Mass: 1213.07
• IUPAC Name: [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate
• SMILES: CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@H](O)CCCCCCCCCC)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1)C[C@H](O)CCCCCCCCCC
• InChI: InChI=1S/C75H144N2O7Si/c1-12-16-20-24-28-32-36-41-51-66(5)61-76(62-69(78)55-44-37-33-29-25-21-17-13-2)59-49-47-52-67(6)73(80)83-72(74(81)82-65-68-53-42-40-43-54-68)58-48-50-60-77(63-70(79)56-45-38-34-30-26-22-18-14-3)64-71(84-85(10,11)75(7,8)9)57-46-39-35-31-27-23-19-15-4/h40,42-43,53-54,66-67,69-72,78-79H,12-39,41,44-52,55-65H2,1-11H3/t66-,67?,69-,70-,71-,72?/m1/s1
• InChIKey: WKAXNMJXQKASNQ-PVKODMIBSA-N
• XLogP: 21.09
• TPSA: 108.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 61
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.07
LogP ≤ 5	21.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate?

The IUPAC name of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate (CID 159720800) is [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate.

What is the SMILES notation for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate?

The canonical SMILES for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate is CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@H](O)CCCCCCCCCC)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1)C[C@H](O)CCCCCCCCCC.

What is the InChIKey of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate?

The InChIKey is WKAXNMJXQKASNQ-PVKODMIBSA-N. The full InChI is InChI=1S/C75H144N2O7Si/c1-12-16-20-24-28-32-36-41-51-66(5)61-76(62-69(78)55-44-37-33-29-25-21-17-13-2)59-49-47-52-67(6)73(80)83-72(74(81)82-65-68-53-42-40-43-54-68)58-48-50-60-77(63-70(79)56-45-38-34-30-26-22-18-14-3)64-71(84-85(10,11)75(7,8)9)57-46-39-35-31-27-23-19-15-4/h40,42-43,53-54,66-67,69-72,78-79H,12-39,41,44-52,55-65H2,1-11H3/t66-,67?,69-,70-,71-,72?/m1/s1.

What are the key properties of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate?

[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate has a molecular weight of 1214.07 g/mol, XLogP of 21.09, 61 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate is sourced from PubChem (CID 159720800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).