N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide

C38H67NO4Si2 — CID 91239665

About N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide

N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide (PubChem CID 91239665) has the molecular formula C38H67NO4Si2 and a molecular weight of 658.13 g/mol. Its IUPAC name is N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide
• PubChem CID: 91239665
• Molecular Formula: C38H67NO4Si2
• Molecular Weight: 658.13 g/mol
• Exact Mass: 657.46
• IUPAC Name: N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide
• SMILES: C=C1C(=CC=C2CCC[C@]3(C)C(CC)=CC[C@@H]23)C[C@@](ON(C(C)=O)C(C)C)(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C38H67NO4Si2/c1-17-32-22-23-33-30(19-18-24-37(32,33)12)20-21-31-25-38(42-39(27(2)3)29(5)40,43-45(15,16)36(9,10)11)26-34(28(31)4)41-44(13,14)35(6,7)8/h20-22,27,33-34H,4,17-19,23-26H2,1-3,5-16H3/t33-,34-,37+,38+/m0/s1
• InChIKey: JJMTWTYDCYXIMF-QXOULVPSSA-N
• XLogP: 11.03
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.13
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide?

The IUPAC name of N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide (CID 91239665) is N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide.

What is the SMILES notation for N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide?

The canonical SMILES for N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide is C=C1C(=CC=C2CCC[C@]3(C)C(CC)=CC[C@@H]23)C[C@@](ON(C(C)=O)C(C)C)(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide?

The InChIKey is JJMTWTYDCYXIMF-QXOULVPSSA-N. The full InChI is InChI=1S/C38H67NO4Si2/c1-17-32-22-23-33-30(19-18-24-37(32,33)12)20-21-31-25-38(42-39(27(2)3)29(5)40,43-45(15,16)36(9,10)11)26-34(28(31)4)41-44(13,14)35(6,7)8/h20-22,27,33-34H,4,17-19,23-26H2,1-3,5-16H3/t33-,34-,37+,38+/m0/s1.

What are the key properties of N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide?

N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide has a molecular weight of 658.13 g/mol, XLogP of 11.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexyl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 91239665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).