(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide

C39H63NO5Si2 — CID 88913790

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide (PubChem CID 88913790) has the molecular formula C39H63NO5Si2 and a molecular weight of 682.11 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide.

Molecular Properties

• Compound Name: (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
• PubChem CID: 88913790
• Molecular Formula: C39H63NO5Si2
• Molecular Weight: 682.11 g/mol
• Exact Mass: 681.42
• IUPAC Name: (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
• SMILES: C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H](CC(C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C39H63NO5Si2/c1-30-28-32(20-19-27-43-47(39(6,7)8,34-21-15-13-16-22-34)35-23-17-14-18-24-35)44-36(30)26-25-33(45-46(11,12)38(3,4)5)29-31(2)37(41)40(9)42-10/h13-18,21-24,31-33,36H,1,19-20,25-29H2,2-12H3/t31?,32-,33-,36?/m0/s1
• InChIKey: XYBADEUNGFWEGT-NIRLGUFMSA-N
• XLogP: 8.27
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.11
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?

The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide (CID 88913790) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide.

What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?

The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide is C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H](CC(C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?

The InChIKey is XYBADEUNGFWEGT-NIRLGUFMSA-N. The full InChI is InChI=1S/C39H63NO5Si2/c1-30-28-32(20-19-27-43-47(39(6,7)8,34-21-15-13-16-22-34)35-23-17-14-18-24-35)44-36(30)26-25-33(45-46(11,12)38(3,4)5)29-31(2)37(41)40(9)42-10/h13-18,21-24,31-33,36H,1,19-20,25-29H2,2-12H3/t31?,32-,33-,36?/m0/s1.

What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide has a molecular weight of 682.11 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide is sourced from PubChem (CID 88913790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).