2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide

C35H61NO4Si2 — CID 87347321

About 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide

2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide (PubChem CID 87347321) has the molecular formula C35H61NO4Si2 and a molecular weight of 616.05 g/mol. Its IUPAC name is 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide.

Molecular Properties

• Compound Name: 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide
• PubChem CID: 87347321
• Molecular Formula: C35H61NO4Si2
• Molecular Weight: 616.05 g/mol
• Exact Mass: 615.41
• IUPAC Name: 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide
• SMILES: C=C1C(=CC=C2CCC[C@]3(C)C([C@H](C)OCC(N)=O)=CCC23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H61NO4Si2/c1-24-27(17-16-26-15-14-20-35(9)29(18-19-30(26)35)25(2)38-23-32(36)37)21-28(39-41(10,11)33(3,4)5)22-31(24)40-42(12,13)34(6,7)8/h16-18,25,28,30-31H,1,14-15,19-23H2,2-13H3,(H2,36,37)/t25-,28+,30?,31-,35+/m0/s1
• InChIKey: WOUICZQCUHTDIW-LKTAOHTESA-N
• XLogP: 9.00
• TPSA: 70.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.05
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide?

The IUPAC name of 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide (CID 87347321) is 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide.

What is the SMILES notation for 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide?

The canonical SMILES for 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide is C=C1C(=CC=C2CCC[C@]3(C)C([C@H](C)OCC(N)=O)=CCC23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide?

The InChIKey is WOUICZQCUHTDIW-LKTAOHTESA-N. The full InChI is InChI=1S/C35H61NO4Si2/c1-24-27(17-16-26-15-14-20-35(9)29(18-19-30(26)35)25(2)38-23-32(36)37)21-28(39-41(10,11)33(3,4)5)22-31(24)40-42(12,13)34(6,7)8/h16-18,25,28,30-31H,1,14-15,19-23H2,2-13H3,(H2,36,37)/t25-,28+,30?,31-,35+/m0/s1.

What are the key properties of 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide?

2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide has a molecular weight of 616.05 g/mol, XLogP of 9.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[(7aS)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]acetamide is sourced from PubChem (CID 87347321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).